(2S)-2-(acetyl(15N)amino)propanoic acid

C5H9NO3 — CID 102175488

IUPAC(2S)-2-(acetyl(15N)amino)propanoic acid
SMILESCC(=O)[15NH][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/i6+1
InChIKeyKTHDTJVBEPMMGL-OGWWSMAPSA-N
MW132.12 g/mol
LogP-0.40
Rot. Bonds2

About (2S)-2-(acetyl(15N)amino)propanoic acid

(2S)-2-(acetyl(15N)amino)propanoic acid (PubChem CID 102175488) has the molecular formula C5H9NO3 and a molecular weight of 132.12 g/mol. Its IUPAC name is (2S)-2-(acetyl(15N)amino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(acetyl(15N)amino)propanoic acid
PubChem CID102175488
Molecular FormulaC5H9NO3
Molecular Weight132.12 g/mol
Exact Mass132.06
IUPAC Name(2S)-2-(acetyl(15N)amino)propanoic acid
SMILESCC(=O)[15NH][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/i6+1
InChIKeyKTHDTJVBEPMMGL-OGWWSMAPSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(acetyl(15N)amino)propanoic acid 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-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2S)-2-(2-acetamidopropanoylamino)-3-hydroxypropanoic acid
CID 61153507
(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71351346
(2S)-2-acetamidopropanoate
CID 6926438
(2S)-2-acetamidopropanoyl iodide
CID 126569176
(2S)-2-(3-oxobutanoylamino)propanoic acid
CID 40571624
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101176077
2-amino-1-(1-carboxyethylamino)prop-1-en-1-olate
CID 58797895
methyl (2R)-2-acetamidopropanoate
CID 6951031
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
(2S)-2-acetamidopropanoate;copper(1+)
CID 175469092

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(acetyl(15N)amino)propanoic acid?
The IUPAC name of (2S)-2-(acetyl(15N)amino)propanoic acid (CID 102175488) is (2S)-2-(acetyl(15N)amino)propanoic acid.
What is the SMILES notation for (2S)-2-(acetyl(15N)amino)propanoic acid?
The canonical SMILES for (2S)-2-(acetyl(15N)amino)propanoic acid is CC(=O)[15NH][C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(acetyl(15N)amino)propanoic acid?
The InChIKey is KTHDTJVBEPMMGL-OGWWSMAPSA-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/i6+1.
What are the key properties of (2S)-2-(acetyl(15N)amino)propanoic acid?
(2S)-2-(acetyl(15N)amino)propanoic acid has a molecular weight of 132.12 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(acetyl(15N)amino)propanoic acid is sourced from PubChem (CID 102175488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).