3-aminopentanoic acid

C5H11NO2 — CID 14731978

IUPAC3-aminopentanoic acid
SMILESCCC(N)CC(=O)O
InChIInChI=1S/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyQFRURJKLPJVRQY-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.20
Rot. Bonds3

About 3-aminopentanoic acid

3-aminopentanoic acid (PubChem CID 14731978) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-aminopentanoic acid.

Molecular Properties

Compound Name3-aminopentanoic acid
PubChem CID14731978
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-aminopentanoic acid
SMILESCCC(N)CC(=O)O
InChIInChI=1S/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyQFRURJKLPJVRQY-UHFFFAOYSA-N
XLogP0.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Beta-Aminobutyric Acid
CID 10932
L-Norvaline
CID 65098
D-Norvaline
CID 439575
DL-norvaline
CID 824
4-Aminobutyric Acid
CID 223130
(3S)-beta-leucine
CID 439734
3-Aminobutanoate
CID 25201443
(3R)-beta-Leucine
CID 2761558
(S)-3-Aminobutyric acid
CID 2761506
4-Aminovaleric acid, (R)-
CID 444458
(4S)-4-Aminopentanoic acid
CID 5312968
3-Aminopentanedioic acid
CID 73064

Frequently Asked Questions

What is the IUPAC name of 3-aminopentanoic acid?
The IUPAC name of 3-aminopentanoic acid (CID 14731978) is 3-aminopentanoic acid.
What is the SMILES notation for 3-aminopentanoic acid?
The canonical SMILES for 3-aminopentanoic acid is CCC(N)CC(=O)O.
What is the InChIKey of 3-aminopentanoic acid?
The InChIKey is QFRURJKLPJVRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-4(6)3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 3-aminopentanoic acid?
3-aminopentanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopentanoic acid is sourced from PubChem (CID 14731978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).