4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid

C12H23NO3 — CID 115123154

IUPAC4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
SMILESCN(CCC1CCCC1)CC(O)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-13(9-11(14)8-12(15)16)7-6-10-4-2-3-5-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyQFELLBLDGZPRSR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.33
Rot. Bonds7

About 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid

4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid (PubChem CID 115123154) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
PubChem CID115123154
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid
SMILESCN(CCC1CCCC1)CC(O)CC(=O)O
InChIInChI=1S/C12H23NO3/c1-13(9-11(14)8-12(15)16)7-6-10-4-2-3-5-10/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyQFELLBLDGZPRSR-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-cyclohexylethyl(methyl)amino]propane-1,2-diol
CID 115122463
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
2-amino-3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115240935
4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid
CID 82778087
2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250462
3-[2-cyclobutylethyl(methyl)amino]butanoic acid
CID 117042297
3-[2-cyclobutylethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 115256306
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]butanoic acid
CID 115241885
3-hydroxy-4-[2-hydroxypropyl(methyl)amino]butanoic acid
CID 82768960
8-cyclohexyl-3-hydroxyoctanoic acid
CID 123754175
1-cyclopentyl-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 103159770
3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 82776291

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid (CID 115123154) is 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid is CN(CCC1CCCC1)CC(O)CC(=O)O.
What is the InChIKey of 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid?
The InChIKey is QFELLBLDGZPRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-13(9-11(14)8-12(15)16)7-6-10-4-2-3-5-10/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid?
4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopentylethyl(methyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 115123154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).