2-[formyl(2-oxopropyl)amino]acetic acid

C6H9NO4 — CID 121285927

IUPAC2-[formyl(2-oxopropyl)amino]acetic acid
SMILESCC(=O)CN(C=O)CC(=O)O
InChIInChI=1S/C6H9NO4/c1-5(9)2-7(4-8)3-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyXPYKTPJTVHBATB-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.88
Rot. Bonds5

About 2-[formyl(2-oxopropyl)amino]acetic acid

2-[formyl(2-oxopropyl)amino]acetic acid (PubChem CID 121285927) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-[formyl(2-oxopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[formyl(2-oxopropyl)amino]acetic acid
PubChem CID121285927
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-[formyl(2-oxopropyl)amino]acetic acid
SMILESCC(=O)CN(C=O)CC(=O)O
InChIInChI=1S/C6H9NO4/c1-5(9)2-7(4-8)3-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyXPYKTPJTVHBATB-UHFFFAOYSA-N
XLogP-0.88
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[formyl(2-oxopropyl)amino]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-[formyl(methyl)amino]acetic acid;hydrochloride
CID 141101166
acetic acid;N,N-diethylformamide
CID 172752961
N-(2-oxopropyl)-N-propan-2-ylformamide
CID 91405611
N-carbamoyl-N-(2-oxopropyl)formamide
CID 22614022
sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
CID 25052150
2-[ethyl(formyl)amino]acetamide
CID 103104201
2-[2-[carboxymethyl(2-oxoethyl)amino]ethyl-[2-[2-oxoethyl(2-oxopropyl)amino]ethyl]amino]acetic acid;ethane;propane
CID 171546032
potassium 2-[formyl(hydroxy)amino]acetic acid
CID 54611881
sodium 2-[formyl(hydroxy)amino]acetic acid
CID 23617820
2-[carboxymethyl(2-hydroxyethenyl)amino]acetic acid
CID 158618990
2-[(4-bromophenyl)methyl-formylamino]acetic acid
CID 90106180
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(2-oxopropyl)amino]acetic acid?
The IUPAC name of 2-[formyl(2-oxopropyl)amino]acetic acid (CID 121285927) is 2-[formyl(2-oxopropyl)amino]acetic acid.
What is the SMILES notation for 2-[formyl(2-oxopropyl)amino]acetic acid?
The canonical SMILES for 2-[formyl(2-oxopropyl)amino]acetic acid is CC(=O)CN(C=O)CC(=O)O.
What is the InChIKey of 2-[formyl(2-oxopropyl)amino]acetic acid?
The InChIKey is XPYKTPJTVHBATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-5(9)2-7(4-8)3-6(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-[formyl(2-oxopropyl)amino]acetic acid?
2-[formyl(2-oxopropyl)amino]acetic acid has a molecular weight of 159.14 g/mol, XLogP of -0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(2-oxopropyl)amino]acetic acid is sourced from PubChem (CID 121285927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).