2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid

C16H23N3O5 — CID 95894173

IUPAC2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid
SMILESCCCN1CC2(CCN(c3nc(C(=O)O)co3)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C16H23N3O5/c1-2-5-19-10-16(8-12(19)14(22)23)3-6-18(7-4-16)15-17-11(9-24-15)13(20)21/h9,12H,2-8,10H2,1H3,(H,20,21)(H,22,23)/t12-/m0/s1
InChIKeyFJURCTRZLZUVLP-LBPRGKRZSA-N
MW337.38 g/mol
LogP1.53
Rot. Bonds5

About 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid

2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 95894173) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID95894173
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid
SMILESCCCN1CC2(CCN(c3nc(C(=O)O)co3)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C16H23N3O5/c1-2-5-19-10-16(8-12(19)14(22)23)3-6-18(7-4-16)15-17-11(9-24-15)13(20)21/h9,12H,2-8,10H2,1H3,(H,20,21)(H,22,23)/t12-/m0/s1
InChIKeyFJURCTRZLZUVLP-LBPRGKRZSA-N
XLogP1.53
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

8-[(4-Carboxy-1,3-oxazol-2-YL)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56881610
2-[5-(Trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-1,3-oxazole-4-carboxylic acid
CID 146134575
2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 167856822
2-(3-Ethylpyrrolidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 104484999
2-[(3S)-3-propylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 138457091
2-[(3S)-3-ethylpyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 138457138
2-[4-(Cyclopentanecarbonyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 42883278
2-Acetyl-8-(4-carboxy-1,3-oxazol-2-YL)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56892540
8-(4-Carboxy-1,3-oxazol-2-YL)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56910450
8-[(4-Carboxy-1,3-oxazol-2-yl)methyl]-2-(cyclopropylcarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56910886
Ethyl 2-[8-(3-hydroxypropyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]-1,3-oxazole-4-carboxylate
CID 70749346
2-(4-Methylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 84008498

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid (CID 95894173) is 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid is CCCN1CC2(CCN(c3nc(C(=O)O)co3)CC2)C[C@H]1C(=O)O.
What is the InChIKey of 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is FJURCTRZLZUVLP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-2-5-19-10-16(8-12(19)14(22)23)3-6-18(7-4-16)15-17-11(9-24-15)13(20)21/h9,12H,2-8,10H2,1H3,(H,20,21)(H,22,23)/t12-/m0/s1.
What are the key properties of 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid?
2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 95894173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).