(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide

C12H24N2O2 — CID 65106150

IUPAC(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)10(13)11(15)14-8-12(16)6-4-3-5-7-12/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyAUFKLQPVLAGMFI-JTQLQIEISA-N
MW228.34 g/mol
LogP0.78
Rot. Bonds4

About (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide

(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide (PubChem CID 65106150) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
PubChem CID65106150
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)10(13)11(15)14-8-12(16)6-4-3-5-7-12/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyAUFKLQPVLAGMFI-JTQLQIEISA-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

N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
(2S)-2-amino-N-[(1-hydroxycyclobutyl)methyl]-3-methylpentanamide
CID 104874186
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224
4-[(1-hydroxycyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498630
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
CID 104969427
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111840753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide (CID 65106150) is (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide?
The InChIKey is AUFKLQPVLAGMFI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)10(13)11(15)14-8-12(16)6-4-3-5-7-12/h9-10,16H,3-8,13H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide?
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-methylbutanamide 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-hydroxycyclohexyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 65106150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).