4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid

C10H19NO3 — CID 82778087

IUPAC4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid
SMILESCN(CC(O)CC(=O)O)C1CCCC1
InChIInChI=1S/C10H19NO3/c1-11(8-4-2-3-5-8)7-9(12)6-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyUQCDXHCVFRWWST-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.70
Rot. Bonds5

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

4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid (PubChem CID 82778087) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid
PubChem CID82778087
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid
SMILESCN(CC(O)CC(=O)O)C1CCCC1
InChIInChI=1S/C10H19NO3/c1-11(8-4-2-3-5-8)7-9(12)6-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyUQCDXHCVFRWWST-UHFFFAOYSA-N
XLogP0.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid (CID 82778087) is 4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid is CN(CC(O)CC(=O)O)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid?
The InChIKey is UQCDXHCVFRWWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11(8-4-2-3-5-8)7-9(12)6-10(13)14/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid?
4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 82778087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).