4-(2-amino-3-hydroxycyclohexyl)butanoic acid

C10H19NO3 — CID 163221531

IUPAC4-(2-amino-3-hydroxycyclohexyl)butanoic acid
SMILESNC1C(O)CCCC1CCCC(=O)O
InChIInChI=1S/C10H19NO3/c11-10-7(3-1-5-8(10)12)4-2-6-9(13)14/h7-8,10,12H,1-6,11H2,(H,13,14)
InChIKeyUMCKGBWNPPENCE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.73
Rot. Bonds4

About 4-(2-amino-3-hydroxycyclohexyl)butanoic acid

4-(2-amino-3-hydroxycyclohexyl)butanoic acid (PubChem CID 163221531) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-amino-3-hydroxycyclohexyl)butanoic acid.

Molecular Properties

Compound Name4-(2-amino-3-hydroxycyclohexyl)butanoic acid
PubChem CID163221531
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(2-amino-3-hydroxycyclohexyl)butanoic acid
SMILESNC1C(O)CCCC1CCCC(=O)O
InChIInChI=1S/C10H19NO3/c11-10-7(3-1-5-8(10)12)4-2-6-9(13)14/h7-8,10,12H,1-6,11H2,(H,13,14)
InChIKeyUMCKGBWNPPENCE-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S,3S)-2-amino-3-hydroxycyclohexyl]pentanoic acid
CID 57307550
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
5-(2-amino-4,4-difluoro-3-hydroxycyclohexyl)pentanoic acid
CID 70065108
5-[(2-hydroxycyclopentyl)methylamino]pentanoic acid
CID 103255157
13-(2-sulfanylcyclopentyl)tridecanoic acid
CID 87483941
4-[(1S,6S,7S,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]butanoic acid
CID 45110293
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
CID 130643029
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
acetic acid;2-pentylcyclopentan-1-ol
CID 71231001
(1S)-2,3-diaminocyclohexan-1-ol
CID 138662284
(1R,2R,3S)-2-amino-3-hydroxycyclohexane-1-carboxylic acid;hydrobromide
CID 11564961

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-hydroxycyclohexyl)butanoic acid?
The IUPAC name of 4-(2-amino-3-hydroxycyclohexyl)butanoic acid (CID 163221531) is 4-(2-amino-3-hydroxycyclohexyl)butanoic acid.
What is the SMILES notation for 4-(2-amino-3-hydroxycyclohexyl)butanoic acid?
The canonical SMILES for 4-(2-amino-3-hydroxycyclohexyl)butanoic acid is NC1C(O)CCCC1CCCC(=O)O.
What is the InChIKey of 4-(2-amino-3-hydroxycyclohexyl)butanoic acid?
The InChIKey is UMCKGBWNPPENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c11-10-7(3-1-5-8(10)12)4-2-6-9(13)14/h7-8,10,12H,1-6,11H2,(H,13,14).
What are the key properties of 4-(2-amino-3-hydroxycyclohexyl)butanoic acid?
4-(2-amino-3-hydroxycyclohexyl)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-hydroxycyclohexyl)butanoic acid is sourced from PubChem (CID 163221531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).