(2S)-2-(ethylamino)propanoic acid

C5H11NO2 — CID 12003149

IUPAC(2S)-2-(ethylamino)propanoic acid
SMILESCCN[C@@H](C)C(=O)O
InChIInChI=1S/C5H11NO2/c1-3-6-4(2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyDATPFTPVGIHCCM-BYPYZUCNSA-N
MW117.15 g/mol
LogP0.07
Rot. Bonds3

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

(2S)-2-(ethylamino)propanoic acid (PubChem CID 12003149) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S)-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethylamino)propanoic acid
PubChem CID12003149
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S)-2-(ethylamino)propanoic acid
SMILESCCN[C@@H](C)C(=O)O
InChIInChI=1S/C5H11NO2/c1-3-6-4(2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyDATPFTPVGIHCCM-BYPYZUCNSA-N
XLogP0.07
TPSA49.33 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 ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-L-alanine
CID 88064
N-Methyl-L-Alanine
CID 5288725
Alanopine
CID 439943
N-Ethylglycine
CID 316542
alpha-(Methylamino)isobutyric acid
CID 75725
Methylserine
CID 7009640
N-Glycylalanine
CID 98153
N-acetyl-D-alanine
CID 132213
Glycyl-L-alanine
CID 1551643
(2R)-2-(methylamino)propanoic acid
CID 92973
N-Methyl-L-valine
CID 444080
2-(Acetylamino)butanoic acid
CID 306107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)propanoic acid?
The IUPAC name of (2S)-2-(ethylamino)propanoic acid (CID 12003149) is (2S)-2-(ethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(ethylamino)propanoic acid?
The canonical SMILES for (2S)-2-(ethylamino)propanoic acid is CCN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(ethylamino)propanoic acid?
The InChIKey is DATPFTPVGIHCCM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-6-4(2)5(7)8/h4,6H,3H2,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)propanoic acid?
(2S)-2-(ethylamino)propanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)propanoic acid is sourced from PubChem (CID 12003149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).