4-amino-2-(2-hydroxycyclohexyl)butanoic acid

C10H19NO3 — CID 104680966

IUPAC4-amino-2-(2-hydroxycyclohexyl)butanoic acid
SMILESNCCC(C(=O)O)C1CCCCC1O
InChIInChI=1S/C10H19NO3/c11-6-5-8(10(13)14)7-3-1-2-4-9(7)12/h7-9,12H,1-6,11H2,(H,13,14)
InChIKeyMQVRBUUASXZWDX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.59
Rot. Bonds4

About 4-amino-2-(2-hydroxycyclohexyl)butanoic acid

4-amino-2-(2-hydroxycyclohexyl)butanoic acid (PubChem CID 104680966) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxycyclohexyl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(2-hydroxycyclohexyl)butanoic acid
PubChem CID104680966
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-amino-2-(2-hydroxycyclohexyl)butanoic acid
SMILESNCCC(C(=O)O)C1CCCCC1O
InChIInChI=1S/C10H19NO3/c11-6-5-8(10(13)14)7-3-1-2-4-9(7)12/h7-9,12H,1-6,11H2,(H,13,14)
InChIKeyMQVRBUUASXZWDX-UHFFFAOYSA-N
XLogP0.59
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(2-hydroxycyclohexyl)pentanoic acid
CID 104681227
3-(4-chlorophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418786
2-(2-hydroxycycloheptyl)propanoic acid
CID 79418512
3-(2-bromophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418747
magnesium bis(2-(2-hydroxycyclohexyl)butanoate)
CID 119057989
3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
CID 79418176
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 107222022
3-chloro-2-cyclohexylpropanoic acid
CID 151396800
4-amino-2-(1-oxaspiro[5.5]undecan-4-yl)butanoic acid
CID 113440466
ethyl (2S)-2-amino-2-[(1R)-2-hydroxycycloheptyl]acetate
CID 91367950
2-cycloheptyl-3-hydroxypropanoic acid
CID 83817561
2-amino-3-[(2-hydroxycyclohexyl)amino]propanoic acid
CID 103249845

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-hydroxycyclohexyl)butanoic acid?
The IUPAC name of 4-amino-2-(2-hydroxycyclohexyl)butanoic acid (CID 104680966) is 4-amino-2-(2-hydroxycyclohexyl)butanoic acid.
What is the SMILES notation for 4-amino-2-(2-hydroxycyclohexyl)butanoic acid?
The canonical SMILES for 4-amino-2-(2-hydroxycyclohexyl)butanoic acid is NCCC(C(=O)O)C1CCCCC1O.
What is the InChIKey of 4-amino-2-(2-hydroxycyclohexyl)butanoic acid?
The InChIKey is MQVRBUUASXZWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c11-6-5-8(10(13)14)7-3-1-2-4-9(7)12/h7-9,12H,1-6,11H2,(H,13,14).
What are the key properties of 4-amino-2-(2-hydroxycyclohexyl)butanoic acid?
4-amino-2-(2-hydroxycyclohexyl)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-hydroxycyclohexyl)butanoic acid is sourced from PubChem (CID 104680966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).