(2S)-2-(propylamino)propanoic acid

C6H13NO2 — CID 15677243

IUPAC(2S)-2-(propylamino)propanoic acid
SMILESCCCN[C@@H](C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-3-4-7-5(2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyUTIMBUCRNZURQB-YFKPBYRVSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds4

About (2S)-2-(propylamino)propanoic acid

(2S)-2-(propylamino)propanoic acid (PubChem CID 15677243) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S)-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(propylamino)propanoic acid
PubChem CID15677243
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2S)-2-(propylamino)propanoic acid
SMILESCCCN[C@@H](C)C(=O)O
InChIInChI=1S/C6H13NO2/c1-3-4-7-5(2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyUTIMBUCRNZURQB-YFKPBYRVSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propylamino)propanoic acid?
The IUPAC name of (2S)-2-(propylamino)propanoic acid (CID 15677243) is (2S)-2-(propylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(propylamino)propanoic acid?
The canonical SMILES for (2S)-2-(propylamino)propanoic acid is CCCN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(propylamino)propanoic acid?
The InChIKey is UTIMBUCRNZURQB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-4-7-5(2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-(propylamino)propanoic acid?
(2S)-2-(propylamino)propanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propylamino)propanoic acid is sourced from PubChem (CID 15677243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).