(2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide

C30H42N4O4 — CID 21021243

About (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide

(2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 21021243) has the molecular formula C30H42N4O4 and a molecular weight of 522.69 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
• PubChem CID: 21021243
• Molecular Formula: C30H42N4O4
• Molecular Weight: 522.69 g/mol
• Exact Mass: 522.32
• IUPAC Name: (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
• SMILES: CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCC(O)CNCC1CC1
• InChI: InChI=1S/C30H42N4O4/c1-30(2,3)29(38)34-14-6-9-26(34)28(37)33-25(16-21-12-13-22-7-4-5-8-23(22)15-21)27(36)32-19-24(35)18-31-17-20-10-11-20/h4-5,7-8,12-13,15,20,24-26,31,35H,6,9-11,14,16-19H2,1-3H3,(H,32,36)(H,33,37)/t24?,25-,26+/m1/s1
• InChIKey: MTXJANFOOGVPHT-KBEVGPIXSA-N
• XLogP: 2.38
• TPSA: 110.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.69
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide (CID 21021243) is (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCC(O)CNCC1CC1.

What is the InChIKey of (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?

The InChIKey is MTXJANFOOGVPHT-KBEVGPIXSA-N. The full InChI is InChI=1S/C30H42N4O4/c1-30(2,3)29(38)34-14-6-9-26(34)28(37)33-25(16-21-12-13-22-7-4-5-8-23(22)15-21)27(36)32-19-24(35)18-31-17-20-10-11-20/h4-5,7-8,12-13,15,20,24-26,31,35H,6,9-11,14,16-19H2,1-3H3,(H,32,36)(H,33,37)/t24?,25-,26+/m1/s1.

What are the key properties of (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?

(2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 522.69 g/mol, XLogP of 2.38, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2R)-1-[[3-(cyclopropylmethylamino)-2-hydroxypropyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 21021243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).