(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide

C12H24N2O2 — CID 79022986

IUPAC(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-3-10(13)11(15)14-8-12(16)6-4-5-9(2)7-12/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)/t9?,10-,12?/m0/s1
InChIKeyKQIZXAXZCBEVTB-YZRBJQDESA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds4

About (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide

(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide (PubChem CID 79022986) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
PubChem CID79022986
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCC1(O)CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-3-10(13)11(15)14-8-12(16)6-4-5-9(2)7-12/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)/t9?,10-,12?/m0/s1
InChIKeyKQIZXAXZCBEVTB-YZRBJQDESA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 65119668
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
CID 107472285
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
N-carbamoyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]propanamide
CID 65120634

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide (CID 79022986) is (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide is CC[C@H](N)C(=O)NCC1(O)CCCC(C)C1.
What is the InChIKey of (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide?
The InChIKey is KQIZXAXZCBEVTB-YZRBJQDESA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10(13)11(15)14-8-12(16)6-4-5-9(2)7-12/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)/t9?,10-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide?
(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 79022986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).