N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide

C27H41N5O6 — CID 167254905

About N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide

N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide (PubChem CID 167254905) has the molecular formula C27H41N5O6 and a molecular weight of 531.65 g/mol. Its IUPAC name is N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide
• PubChem CID: 167254905
• Molecular Formula: C27H41N5O6
• Molecular Weight: 531.65 g/mol
• Exact Mass: 531.31
• IUPAC Name: N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide
• SMILES: CCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)N(C)C(=O)[C@@H](C)NC(=O)C1CC2(CC2)C1
• InChI: InChI=1S/C27H41N5O6/c1-4-5-20(32(3)26(38)15(2)29-23(35)17-13-27(14-17)9-10-27)24(36)31-19(12-16-8-11-28-22(16)34)21(33)25(37)30-18-6-7-18/h15-20H,4-14H2,1-3H3,(H,28,34)(H,29,35)(H,30,37)(H,31,36)/t15-,16+,19+,20+/m1/s1
• InChIKey: ZBMYTQLPWNKZMI-LPWQTFTOSA-N
• XLogP: 0.17
• TPSA: 153.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.65
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide?

The IUPAC name of N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide (CID 167254905) is N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide.

What is the SMILES notation for N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide?

The canonical SMILES for N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide is CCC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)N(C)C(=O)[C@@H](C)NC(=O)C1CC2(CC2)C1.

What is the InChIKey of N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide?

The InChIKey is ZBMYTQLPWNKZMI-LPWQTFTOSA-N. The full InChI is InChI=1S/C27H41N5O6/c1-4-5-20(32(3)26(38)15(2)29-23(35)17-13-27(14-17)9-10-27)24(36)31-19(12-16-8-11-28-22(16)34)21(33)25(37)30-18-6-7-18/h15-20H,4-14H2,1-3H3,(H,28,34)(H,29,35)(H,30,37)(H,31,36)/t15-,16+,19+,20+/m1/s1.

What are the key properties of N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide?

N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide has a molecular weight of 531.65 g/mol, XLogP of 0.17, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]spiro[2.3]hexane-5-carboxamide is sourced from PubChem (CID 167254905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).