2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide

C29H41N3O7 — CID 140659010

About 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide

2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide (PubChem CID 140659010) has the molecular formula C29H41N3O7 and a molecular weight of 543.66 g/mol. Its IUPAC name is 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide
• PubChem CID: 140659010
• Molecular Formula: C29H41N3O7
• Molecular Weight: 543.66 g/mol
• Exact Mass: 543.29
• IUPAC Name: 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide
• SMILES: COc1ccc(C[C@H](NC(=O)[C@H](C)C2(C(N)=O)CCCO2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1
• InChI: InChI=1S/C29H41N3O7/c1-18(29(27(30)36)13-6-14-38-29)25(34)32-23(16-20-9-11-21(37-3)12-10-20)26(35)31-22(15-19-7-4-5-8-19)24(33)28(2)17-39-28/h9-12,18-19,22-23H,4-8,13-17H2,1-3H3,(H2,30,36)(H,31,35)(H,32,34)/t18-,22-,23-,28+,29?/m0/s1
• InChIKey: KTAAOMZDEOSZLR-ZDKZKUEASA-N
• XLogP: 1.82
• TPSA: 149.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.66
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide?

The IUPAC name of 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide (CID 140659010) is 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide.

What is the SMILES notation for 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide?

The canonical SMILES for 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide is COc1ccc(C[C@H](NC(=O)[C@H](C)C2(C(N)=O)CCCO2)C(=O)N[C@@H](CC2CCCC2)C(=O)[C@@]2(C)CO2)cc1.

What is the InChIKey of 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide?

The InChIKey is KTAAOMZDEOSZLR-ZDKZKUEASA-N. The full InChI is InChI=1S/C29H41N3O7/c1-18(29(27(30)36)13-6-14-38-29)25(34)32-23(16-20-9-11-21(37-3)12-10-20)26(35)31-22(15-19-7-4-5-8-19)24(33)28(2)17-39-28/h9-12,18-19,22-23H,4-8,13-17H2,1-3H3,(H2,30,36)(H,31,35)(H,32,34)/t18-,22-,23-,28+,29?/m0/s1.

What are the key properties of 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide?

2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide has a molecular weight of 543.66 g/mol, XLogP of 1.82, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 140659010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).