2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid

C9H18N2O3 — CID 61339960

IUPAC2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid
SMILESCC(C)NC(=O)CNC(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)11-7(12)5-10-9(3,4)8(13)14/h6,10H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyBJKJVUGETHGHMH-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.04
Rot. Bonds5

About 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid

2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid (PubChem CID 61339960) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid
PubChem CID61339960
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid
SMILESCC(C)NC(=O)CNC(C)(C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)11-7(12)5-10-9(3,4)8(13)14/h6,10H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyBJKJVUGETHGHMH-UHFFFAOYSA-N
XLogP-0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]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

2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-propan-2-ylacetamide
CID 103911925
2-(2-hydroxypropylamino)-2-methylpropanoic acid
CID 19816225
2-methyl-2-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]butanoic acid
CID 79790704
3,3-dimethyl-5-oxo-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 62933699
2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263773
2,2,3-trimethyl-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]butanoic acid
CID 65265112
2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 65264174
3,3,3-trifluoro-2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 79801337
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263713
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid (CID 61339960) is 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid is CC(C)NC(=O)CNC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid?
The InChIKey is BJKJVUGETHGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)11-7(12)5-10-9(3,4)8(13)14/h6,10H,5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid?
2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 61339960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).