2-(3-deuteriopropanoylamino)acetic acid

C5H9NO3 — CID 170555172

IUPAC2-(3-deuteriopropanoylamino)acetic acid
SMILES[2H]CCC(=O)NCC(=O)O
InChIInChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/i1D
InChIKeyWOMAZEJKVZLLFE-MICDWDOJSA-N
MW132.14 g/mol
LogP-0.40
Rot. Bonds4

About 2-(3-deuteriopropanoylamino)acetic acid

2-(3-deuteriopropanoylamino)acetic acid (PubChem CID 170555172) has the molecular formula C5H9NO3 and a molecular weight of 132.14 g/mol. Its IUPAC name is 2-(3-deuteriopropanoylamino)acetic acid.

Molecular Properties

Compound Name2-(3-deuteriopropanoylamino)acetic acid
PubChem CID170555172
Molecular FormulaC5H9NO3
Molecular Weight132.14 g/mol
Exact Mass132.06
IUPAC Name2-(3-deuteriopropanoylamino)acetic acid
SMILES[2H]CCC(=O)NCC(=O)O
InChIInChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/i1D
InChIKeyWOMAZEJKVZLLFE-MICDWDOJSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 2-(3-deuteriopropanoylamino)acetic 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

2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
2-(10-deuteriodecanoylamino)acetic acid
CID 170555179
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
2-[(2-methylsulfinylacetyl)amino]acetic acid
CID 84656850
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[(2-aminoacetyl)amino]acetic acid;iron
CID 88519738
2-[[2-(diacetylamino)acetyl]amino]acetic acid
CID 87300850
2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid
CID 82041147
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-[[2-(2-methylpropylamino)acetyl]amino]acetic acid
CID 139446842
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447

Frequently Asked Questions

What is the IUPAC name of 2-(3-deuteriopropanoylamino)acetic acid?
The IUPAC name of 2-(3-deuteriopropanoylamino)acetic acid (CID 170555172) is 2-(3-deuteriopropanoylamino)acetic acid.
What is the SMILES notation for 2-(3-deuteriopropanoylamino)acetic acid?
The canonical SMILES for 2-(3-deuteriopropanoylamino)acetic acid is [2H]CCC(=O)NCC(=O)O.
What is the InChIKey of 2-(3-deuteriopropanoylamino)acetic acid?
The InChIKey is WOMAZEJKVZLLFE-MICDWDOJSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/i1D.
What are the key properties of 2-(3-deuteriopropanoylamino)acetic acid?
2-(3-deuteriopropanoylamino)acetic acid has a molecular weight of 132.14 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-deuteriopropanoylamino)acetic acid is sourced from PubChem (CID 170555172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).