(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide

C13H26N2O — CID 107569955

IUPAC(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
SMILESCCC[C@H](N)C(=O)NC1CCCCCC1C
InChIInChI=1S/C13H26N2O/c1-3-7-11(14)13(16)15-12-9-6-4-5-8-10(12)2/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t10?,11-,12?/m0/s1
InChIKeyUFHONDDQKXFDKC-CXQJBGSLSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds4

About (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide

(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide (PubChem CID 107569955) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
PubChem CID107569955
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide
SMILESCCC[C@H](N)C(=O)NC1CCCCCC1C
InChIInChI=1S/C13H26N2O/c1-3-7-11(14)13(16)15-12-9-6-4-5-8-10(12)2/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t10?,11-,12?/m0/s1
InChIKeyUFHONDDQKXFDKC-CXQJBGSLSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
2-amino-N-(2-methylcyclopentyl)hexanamide
CID 63281748
2-amino-N-(2,3-dimethylcyclohexyl)pentanamide;hydrochloride
CID 119264133
4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid
CID 64895983
2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650
(2R)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 103796818
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 107569791
(2R)-2-amino-N-(2-propan-2-ylcyclohexyl)pentanamide
CID 103796389
2-amino-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 103796946
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide (CID 107569955) is (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide is CCC[C@H](N)C(=O)NC1CCCCCC1C.
What is the InChIKey of (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide?
The InChIKey is UFHONDDQKXFDKC-CXQJBGSLSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-7-11(14)13(16)15-12-9-6-4-5-8-10(12)2/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t10?,11-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide?
(2S)-2-amino-N-(2-methylcycloheptyl)pentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methylcycloheptyl)pentanamide is sourced from PubChem (CID 107569955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).