N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide

C18H34N4O3 — CID 138591315

IUPACN-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide
SMILESCC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)C1CCCC1)C(N)=O
InChIInChI=1S/C18H34N4O3/c1-12(2)11-15(16(20)23)22-18(25)14(9-5-6-10-19)21-17(24)13-7-3-4-8-13/h12-15H,3-11,19H2,1-2H3,(H2,20,23)(H,21,24)(H,22,25)/t14-,15-/m0/s1
InChIKeyXYOHBUWUSUFRFA-GJZGRUSLSA-N
MW354.50 g/mol
LogP0.81
Rot. Bonds11

About N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide

N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide (PubChem CID 138591315) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide
PubChem CID138591315
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC NameN-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide
SMILESCC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)C1CCCC1)C(N)=O
InChIInChI=1S/C18H34N4O3/c1-12(2)11-15(16(20)23)22-18(25)14(9-5-6-10-19)21-17(24)13-7-3-4-8-13/h12-15H,3-11,19H2,1-2H3,(H2,20,23)(H,21,24)(H,22,25)/t14-,15-/m0/s1
InChIKeyXYOHBUWUSUFRFA-GJZGRUSLSA-N
XLogP0.81
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide (CID 138591315) is N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide is CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)C1CCCC1)C(N)=O.
What is the InChIKey of N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide?
The InChIKey is XYOHBUWUSUFRFA-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-12(2)11-15(16(20)23)22-18(25)14(9-5-6-10-19)21-17(24)13-7-3-4-8-13/h12-15H,3-11,19H2,1-2H3,(H2,20,23)(H,21,24)(H,22,25)/t14-,15-/m0/s1.
What are the key properties of N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide?
N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide has a molecular weight of 354.50 g/mol, XLogP of 0.81, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 138591315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).