(2S)-2-acetamidopropanoate

C5H8NO3- — CID 6926438

IUPAC(2S)-2-acetamidopropanoate
SMILESCC(=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)/p-1/t3-/m0/s1
InChIKeyKTHDTJVBEPMMGL-VKHMYHEASA-M
MW130.12 g/mol
LogP-1.74
Rot. Bonds2

About (2S)-2-acetamidopropanoate

(2S)-2-acetamidopropanoate (PubChem CID 6926438) has the molecular formula C5H8NO3- and a molecular weight of 130.12 g/mol. Its IUPAC name is (2S)-2-acetamidopropanoate.

Molecular Properties

Compound Name(2S)-2-acetamidopropanoate
PubChem CID6926438
Molecular FormulaC5H8NO3-
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name(2S)-2-acetamidopropanoate
SMILESCC(=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)/p-1/t3-/m0/s1
InChIKeyKTHDTJVBEPMMGL-VKHMYHEASA-M
XLogP-1.74
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-acetamidopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-acetamidopropanoate;copper(1+)
CID 175469092
methyl (2R)-2-acetamidopropanoate
CID 6951031
sodium 2-(hydroxyamino)propanoate
CID 23713376
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
(2S)-2-acetamidopropanoyl iodide
CID 126569176
propan-2-yl (2R)-2-acetamidopropanoate
CID 165357542
ethyl (2S)-2-acetamidopropanoate
CID 11805045
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
CID 7017965
methyl (2R)-2-[[(2R)-2-[[(2R)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoate
CID 36688580
N-(4-methylpent-1-yn-3-yl)acetamide
CID 123211812
N-[(3Z)-3-hydroxyiminobutan-2-yl]acetamide
CID 19164934
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamidopropanoate?
The IUPAC name of (2S)-2-acetamidopropanoate (CID 6926438) is (2S)-2-acetamidopropanoate.
What is the SMILES notation for (2S)-2-acetamidopropanoate?
The canonical SMILES for (2S)-2-acetamidopropanoate is CC(=O)N[C@@H](C)C(=O)[O-].
What is the InChIKey of (2S)-2-acetamidopropanoate?
The InChIKey is KTHDTJVBEPMMGL-VKHMYHEASA-M. 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)/p-1/t3-/m0/s1.
What are the key properties of (2S)-2-acetamidopropanoate?
(2S)-2-acetamidopropanoate has a molecular weight of 130.12 g/mol, XLogP of -1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamidopropanoate is sourced from PubChem (CID 6926438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).