2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid

C7H14N2O3 — CID 43442200

IUPAC2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCNC(=O)C(C)N(C)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(7(12)8-2)9(3)4-6(10)11/h5H,4H2,1-3H3,(H,8,12)(H,10,11)
InChIKeySYJSTDMUOWTBSI-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.86
Rot. Bonds4

About 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 43442200) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID43442200
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCNC(=O)C(C)N(C)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(7(12)8-2)9(3)4-6(10)11/h5H,4H2,1-3H3,(H,8,12)(H,10,11)
InChIKeySYJSTDMUOWTBSI-UHFFFAOYSA-N
XLogP-0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]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

N-Acetyl-L-alanine
CID 88064
L-Alanyl-L-alanine
CID 5484352
D-Alanyl-D-Alanine
CID 5460362
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
Ala-Gly
CID 6998029
Propionylglycine
CID 98681
L-Alanylglycine
CID 6998028
Glycyl-L-valine
CID 2724807
Ala-Ala-Ala
CID 5478845
N-Glycylalanine
CID 98153
Glycylvaline
CID 97417
N-acetyl-D-alanine
CID 132213

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 43442200) is 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid is CNC(=O)C(C)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is SYJSTDMUOWTBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(7(12)8-2)9(3)4-6(10)11/h5H,4H2,1-3H3,(H,8,12)(H,10,11).
What are the key properties of 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 174.20 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 43442200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).