(4S)-4-aminopentanoic acid

C5H11NO2 — CID 5312968

IUPAC(4S)-4-aminopentanoic acid
SMILESC[C@H](N)CCC(=O)O
InChIInChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyABSTXSZPGHDTAF-BYPYZUCNSA-N
MW117.15 g/mol
LogP0.20
Rot. Bonds3

About (4S)-4-aminopentanoic acid

(4S)-4-aminopentanoic acid (PubChem CID 5312968) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (4S)-4-aminopentanoic acid.

Molecular Properties

Compound Name(4S)-4-aminopentanoic acid
PubChem CID5312968
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(4S)-4-aminopentanoic acid
SMILESC[C@H](N)CCC(=O)O
InChIInChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyABSTXSZPGHDTAF-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-aminopentanoic acid?
The IUPAC name of (4S)-4-aminopentanoic acid (CID 5312968) is (4S)-4-aminopentanoic acid.
What is the SMILES notation for (4S)-4-aminopentanoic acid?
The canonical SMILES for (4S)-4-aminopentanoic acid is C[C@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-aminopentanoic acid?
The InChIKey is ABSTXSZPGHDTAF-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (4S)-4-aminopentanoic acid?
(4S)-4-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 (4S)-4-aminopentanoic acid is sourced from PubChem (CID 5312968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).