2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate

C113H140Cl6N14O20 — CID 167703164

About 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate

2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate (PubChem CID 167703164) has the molecular formula C113H140Cl6N14O20 and a molecular weight of 2227.16 g/mol. Its IUPAC name is 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate.

Molecular Properties

• Compound Name: 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
• PubChem CID: 167703164
• Molecular Formula: C113H140Cl6N14O20
• Molecular Weight: 2227.16 g/mol
• Exact Mass: 2222.85
• IUPAC Name: 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate
• SMILES: COC(=O)[C@@H](N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.NC(=O)[C@@H](CC(O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1)C[C@@H]1CCCNC1=O.O=C(Cl)c1cc2c(Cl)cccc2[nH]1.O=C(O)C1CC2(CCCCC2)CN1.O=C(O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.O=C(O)c1cc2c(Cl)cccc2[nH]1
• InChI: InChI=1S/C28H37ClN4O5.C28H37ClN4O4.C19H21ClN2O3.C10H17NO3.C10H17NO2.C9H5Cl2NO.C9H6ClNO2/c1-38-27(37)22(13-17-7-6-12-30-24(17)34)32-25(35)23-15-28(10-3-2-4-11-28)16-33(23)26(36)21-14-18-19(29)8-5-9-20(18)31-21;29-20-7-4-8-21-19(20)14-22(32-21)27(37)33-16-28(9-2-1-3-10-28)15-23(33)24(34)13-18(25(30)35)12-17-6-5-11-31-26(17)36;20-13-5-4-6-14-12(13)9-15(21-14)17(23)22-11-19(7-2-1-3-8-19)10-16(22)18(24)25;1-14-10(13)8(11)6-7-4-2-3-5-9(7)12;12-9(13)8-6-10(7-11-8)4-2-1-3-5-10;10-6-2-1-3-7-5(6)4-8(12-7)9(11)13;10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h5,8-9,14,17,22-23,25,31-32,35H,2-4,6-7,10-13,15-16H2,1H3,(H,30,34);4,7-8,14,17-18,23-24,32,34H,1-3,5-6,9-13,15-16H2,(H2,30,35)(H,31,36);4-6,9,16,21H,1-3,7-8,10-11H2,(H,24,25);7-8H,2-6,11H2,1H3;8,11H,1-7H2,(H,12,13);1-4,12H;1-4,11H,(H,12,13)/t17-,22-,23?,25?;17-,18+,23?,24?;;7-,8-;;;/m00.0.../s1
• InChIKey: YRWPXJFJQFJAPA-BZBMLUFKSA-N
• XLogP: 18.92
• TPSA: 530.35 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2227.16
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate?

The IUPAC name of 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate (CID 167703164) is 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate.

What is the SMILES notation for 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate?

The canonical SMILES for 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate is COC(=O)[C@@H](N)C[C@@H]1CCCCC1=O.COC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.NC(=O)[C@@H](CC(O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1)C[C@@H]1CCCNC1=O.O=C(Cl)c1cc2c(Cl)cccc2[nH]1.O=C(O)C1CC2(CCCCC2)CN1.O=C(O)C1CC2(CCCCC2)CN1C(=O)c1cc2c(Cl)cccc2[nH]1.O=C(O)c1cc2c(Cl)cccc2[nH]1.

What is the InChIKey of 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate?

The InChIKey is YRWPXJFJQFJAPA-BZBMLUFKSA-N. The full InChI is InChI=1S/C28H37ClN4O5.C28H37ClN4O4.C19H21ClN2O3.C10H17NO3.C10H17NO2.C9H5Cl2NO.C9H6ClNO2/c1-38-27(37)22(13-17-7-6-12-30-24(17)34)32-25(35)23-15-28(10-3-2-4-11-28)16-33(23)26(36)21-14-18-19(29)8-5-9-20(18)31-21;29-20-7-4-8-21-19(20)14-22(32-21)27(37)33-16-28(9-2-1-3-10-28)15-23(33)24(34)13-18(25(30)35)12-17-6-5-11-31-26(17)36;20-13-5-4-6-14-12(13)9-15(21-14)17(23)22-11-19(7-2-1-3-8-19)10-16(22)18(24)25;1-14-10(13)8(11)6-7-4-2-3-5-9(7)12;12-9(13)8-6-10(7-11-8)4-2-1-3-5-10;10-6-2-1-3-7-5(6)4-8(12-7)9(11)13;10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h5,8-9,14,17,22-23,25,31-32,35H,2-4,6-7,10-13,15-16H2,1H3,(H,30,34);4,7-8,14,17-18,23-24,32,34H,1-3,5-6,9-13,15-16H2,(H2,30,35)(H,31,36);4-6,9,16,21H,1-3,7-8,10-11H2,(H,24,25);7-8H,2-6,11H2,1H3;8,11H,1-7H2,(H,12,13);1-4,12H;1-4,11H,(H,12,13)/t17-,22-,23?,25?;17-,18+,23?,24?;;7-,8-;;;/m00.0.../s1.

What are the key properties of 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate?

2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate has a molecular weight of 2227.16 g/mol, XLogP of 18.92, 22 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azaspiro[4.5]decane-3-carboxylic acid;2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid;(2R)-4-[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-4-hydroxy-2-[[(3S)-2-oxopiperidin-3-yl]methyl]butanamide;4-chloro-1H-indole-2-carbonyl chloride;4-chloro-1H-indole-2-carboxylic acid;methyl (2S)-2-amino-3-[(1S)-2-oxocyclohexyl]propanoate;methyl (2S)-2-[[[2-(4-chloro-1H-indole-2-carbonyl)-2-azaspiro[4.5]decan-3-yl]-hydroxymethyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoate is sourced from PubChem (CID 167703164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).