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

C10H19N3O3 — CID 107221602

IUPAC2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
SMILESNC(=O)CC(N)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H19N3O3/c11-6(5-9(12)15)10(16)13-7-3-1-2-4-8(7)14/h6-8,14H,1-5,11H2,(H2,12,15)(H,13,16)/t6?,7-,8-/m0/s1
InChIKeyZUJXRQVGNAMKKK-ALKRTJFJSA-N
MW229.28 g/mol
LogP-1.39
Rot. Bonds4

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

2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide (PubChem CID 107221602) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
PubChem CID107221602
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
SMILESNC(=O)CC(N)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H19N3O3/c11-6(5-9(12)15)10(16)13-7-3-1-2-4-8(7)14/h6-8,14H,1-5,11H2,(H2,12,15)(H,13,16)/t6?,7-,8-/m0/s1
InChIKeyZUJXRQVGNAMKKK-ALKRTJFJSA-N
XLogP-1.39
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
2-amino-N-(2-hydroxycyclohexyl)-4-methylsulfonylbutanamide
CID 62359811
(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 104905091
(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
CID 104984765
2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride
CID 119957470
2-amino-N-(2-methyloxolan-3-yl)butanediamide
CID 82729118

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide?
The IUPAC name of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide (CID 107221602) is 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide is NC(=O)CC(N)C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide?
The InChIKey is ZUJXRQVGNAMKKK-ALKRTJFJSA-N. The full InChI is InChI=1S/C10H19N3O3/c11-6(5-9(12)15)10(16)13-7-3-1-2-4-8(7)14/h6-8,14H,1-5,11H2,(H2,12,15)(H,13,16)/t6?,7-,8-/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide?
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide has a molecular weight of 229.28 g/mol, XLogP of -1.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide is sourced from PubChem (CID 107221602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).