(2S)-2-[(2-deuterioacetyl)amino]propanoic acid

C5H9NO3 — CID 18603698

IUPAC(2S)-2-[(2-deuterioacetyl)amino]propanoic acid
SMILES[2H]CC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1/i2D
InChIKeyKTHDTJVBEPMMGL-XEWAXYEYSA-N
MW132.14 g/mol
LogP-0.40
Rot. Bonds3

About (2S)-2-[(2-deuterioacetyl)amino]propanoic acid

(2S)-2-[(2-deuterioacetyl)amino]propanoic acid (PubChem CID 18603698) has the molecular formula C5H9NO3 and a molecular weight of 132.14 g/mol. Its IUPAC name is (2S)-2-[(2-deuterioacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-deuterioacetyl)amino]propanoic acid
PubChem CID18603698
Molecular FormulaC5H9NO3
Molecular Weight132.14 g/mol
Exact Mass132.06
IUPAC Name(2S)-2-[(2-deuterioacetyl)amino]propanoic acid
SMILES[2H]CC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1/i2D
InChIKeyKTHDTJVBEPMMGL-XEWAXYEYSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-L-Cysteine
CID 12035
Acetylglycine
CID 10972
N-Acetyl-L-alanine
CID 88064
Isobutyrylglycine
CID 10855600
L-Alanyl-L-alanine
CID 5484352
D-Alanyl-D-Alanine
CID 5460362
Acetylserine
CID 65249
N-Acetyl-DL-cysteine
CID 581
Butyrylglycine
CID 88412
N-Methyl-L-Alanine
CID 5288725
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
Ala-Gly
CID 6998029

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-deuterioacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-deuterioacetyl)amino]propanoic acid (CID 18603698) is (2S)-2-[(2-deuterioacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-deuterioacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-deuterioacetyl)amino]propanoic acid is [2H]CC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-deuterioacetyl)amino]propanoic acid?
The InChIKey is KTHDTJVBEPMMGL-XEWAXYEYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/t3-/m0/s1/i2D.
What are the key properties of (2S)-2-[(2-deuterioacetyl)amino]propanoic acid?
(2S)-2-[(2-deuterioacetyl)amino]propanoic acid has a molecular weight of 132.14 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-deuterioacetyl)amino]propanoic acid is sourced from PubChem (CID 18603698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).