2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide

C10H20N2O2 — CID 107221502

IUPAC2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
SMILESCCC(N)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H20N2O2/c1-2-7(11)10(14)12-8-5-3-4-6-9(8)13/h7-9,13H,2-6,11H2,1H3,(H,12,14)/t7?,8-,9-/m0/s1
InChIKeyKVKQWQUWOJTANA-NPPUSCPJSA-N
MW200.28 g/mol
LogP0.14
Rot. Bonds3

About 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide

2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide (PubChem CID 107221502) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
PubChem CID107221502
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
SMILESCCC(N)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H20N2O2/c1-2-7(11)10(14)12-8-5-3-4-6-9(8)13/h7-9,13H,2-6,11H2,1H3,(H,12,14)/t7?,8-,9-/m0/s1
InChIKeyKVKQWQUWOJTANA-NPPUSCPJSA-N
XLogP0.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide
CID 62359811
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 104957388
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
CID 107221602
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087
2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107221949
2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650
(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide
CID 124855975
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide (CID 107221502) is 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide is CCC(N)C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The InChIKey is KVKQWQUWOJTANA-NPPUSCPJSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-7(11)10(14)12-8-5-3-4-6-9(8)13/h7-9,13H,2-6,11H2,1H3,(H,12,14)/t7?,8-,9-/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide is sourced from PubChem (CID 107221502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).