cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide

C16H31N3O2 — CID 58615977

IUPACcis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CC[C@@H](NC(=O)CCCCCN)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)11-18-16(21)13-7-8-14(10-13)19-15(20)6-4-3-5-9-17/h12-14H,3-11,17H2,1-2H3,(H,18,21)(H,19,20)/t13-,14+/m0/s1
InChIKeyWJTKTGDFSAUAIU-UONOGXRCSA-N
MW297.44 g/mol
LogP1.56
Rot. Bonds9

About cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide

cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 58615977) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID58615977
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Namecis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CC[C@@H](NC(=O)CCCCCN)C1
InChIInChI=1S/C16H31N3O2/c1-12(2)11-18-16(21)13-7-8-14(10-13)19-15(20)6-4-3-5-9-17/h12-14H,3-11,17H2,1-2H3,(H,18,21)(H,19,20)/t13-,14+/m0/s1
InChIKeyWJTKTGDFSAUAIU-UONOGXRCSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
N-[2-(7-aminoheptanoylamino)ethyl]cyclopropanecarboxamide
CID 115738007
6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037
N,N'-dicyclopropyldecanediamide
CID 4668836
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
4-amino-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119319062
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
N-(3-aminocyclopentyl)-5-methylhexanamide
CID 115272906

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide (CID 58615977) is cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CNC(=O)[C@H]1CC[C@@H](NC(=O)CCCCCN)C1.
What is the InChIKey of cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is WJTKTGDFSAUAIU-UONOGXRCSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(2)11-18-16(21)13-7-8-14(10-13)19-15(20)6-4-3-5-9-17/h12-14H,3-11,17H2,1-2H3,(H,18,21)(H,19,20)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide?
cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 58615977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).