(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide

C12H24N2O — CID 93255478

IUPAC(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C12H24N2O/c1-3-6-10(13)12(15)14-11-8-5-4-7-9(11)2/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,10-,11+/m0/s1
InChIKeyGRXIWBAKFQTJIP-GARJFASQSA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds4

About (2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide

(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide (PubChem CID 93255478) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
PubChem CID93255478
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C12H24N2O/c1-3-6-10(13)12(15)14-11-8-5-4-7-9(11)2/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,10-,11+/m0/s1
InChIKeyGRXIWBAKFQTJIP-GARJFASQSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide (CID 93255478) is (2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide is CCC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of (2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide?
The InChIKey is GRXIWBAKFQTJIP-GARJFASQSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-6-10(13)12(15)14-11-8-5-4-7-9(11)2/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,10-,11+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide?
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 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-[(1R,2S)-2-methylcyclohexyl]pentanamide is sourced from PubChem (CID 93255478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).