4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid

C12H23NO3 — CID 103256634

IUPAC4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid
SMILESCC1(C)CCCCC1NCC(O)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2)6-4-3-5-10(12)13-8-9(14)7-11(15)16/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyZAOAMKREHRWBNR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.38
Rot. Bonds5

About 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid

4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid (PubChem CID 103256634) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid
PubChem CID103256634
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid
SMILESCC1(C)CCCCC1NCC(O)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2)6-4-3-5-10(12)13-8-9(14)7-11(15)16/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyZAOAMKREHRWBNR-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethylcyclopentyl)amino]acetic acid
CID 79865200
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
2,2-dimethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 79836799
1-[(2,2-dimethylcyclohexyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 79870605
4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79852877
3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid
CID 103264023
3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid
CID 79861761
5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 79878603
N-cyclopropyl-2-[(2,2-dimethylcyclohexyl)amino]acetamide
CID 79828295
3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115122911
tert-butyl N-[(2S,3R)-4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 69359103
1-[[(2,2-dimethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 79856985

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid (CID 103256634) is 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid is CC1(C)CCCCC1NCC(O)CC(=O)O.
What is the InChIKey of 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid?
The InChIKey is ZAOAMKREHRWBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2)6-4-3-5-10(12)13-8-9(14)7-11(15)16/h9-10,13-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid?
4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 103256634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).