(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide

C12H24N2O — CID 64907207

IUPAC(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide
SMILESCC1CCC(NC(=O)[C@@H](N)C(C)C)C1C
InChIInChI=1S/C12H24N2O/c1-7(2)11(13)12(15)14-10-6-5-8(3)9(10)4/h7-11H,5-6,13H2,1-4H3,(H,14,15)/t8?,9?,10?,11-/m0/s1
InChIKeyKQSRZVICEJEHTI-QUBJWBRDSA-N
MW212.34 g/mol
LogP1.52
Rot. Bonds3

About (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide

(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide (PubChem CID 64907207) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide
PubChem CID64907207
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide
SMILESCC1CCC(NC(=O)[C@@H](N)C(C)C)C1C
InChIInChI=1S/C12H24N2O/c1-7(2)11(13)12(15)14-10-6-5-8(3)9(10)4/h7-11H,5-6,13H2,1-4H3,(H,14,15)/t8?,9?,10?,11-/m0/s1
InChIKeyKQSRZVICEJEHTI-QUBJWBRDSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
2-amino-N-(2,3-dimethylcyclopentyl)propanamide
CID 64909126
(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide
CID 130965044
(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylpentanamide
CID 64907204
(2R)-2-amino-N-(2,3-dimethylcyclopentyl)-3,3-dimethylbutanamide
CID 103930053
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
(2R)-2-amino-N-[(1S,3S,4S)-3-hydroxy-4-methylcyclohexyl]-3-methylbutanamide
CID 58369423
5-amino-N-(2,3-dimethylcyclopentyl)-2-methylpentanamide
CID 104685198
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
3-amino-N-(2,3-dimethylcyclopentyl)-2-methoxypropanamide
CID 106113007
2-amino-N-(2,3-dimethylcyclopentyl)-5-methoxypentanamide
CID 81102327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide (CID 64907207) is (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide is CC1CCC(NC(=O)[C@@H](N)C(C)C)C1C.
What is the InChIKey of (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide?
The InChIKey is KQSRZVICEJEHTI-QUBJWBRDSA-N. The full InChI is InChI=1S/C12H24N2O/c1-7(2)11(13)12(15)14-10-6-5-8(3)9(10)4/h7-11H,5-6,13H2,1-4H3,(H,14,15)/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide?
(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide is sourced from PubChem (CID 64907207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).