methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate

C9H16N2O3 — CID 60687311

IUPACmethyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CNC1CC1
InChIInChI=1S/C9H16N2O3/c1-6(9(13)14-2)11-8(12)5-10-7-3-4-7/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyCLYADCDKYXAJNY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.58
Rot. Bonds5

About methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate

methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate (PubChem CID 60687311) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
PubChem CID60687311
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CNC1CC1
InChIInChI=1S/C9H16N2O3/c1-6(9(13)14-2)11-8(12)5-10-7-3-4-7/h6-7,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyCLYADCDKYXAJNY-UHFFFAOYSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate 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-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 60842858
2-[[2-(cyclopentylamino)acetyl]amino]propanamide
CID 60848891
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119781285
N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 112703978
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate
CID 60687231
3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
CID 61160049
2-[[2-(cyclopentylamino)acetyl]amino]-N-methylpropanamide
CID 61467728
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
2-(cyclopropylamino)-N-(2-methylpentan-3-yl)acetamide
CID 61470431
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
(2S,3S)-2-[[2-(cyclopropylamino)acetyl]amino]-3-methylpentanoic acid
CID 61172077

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate (CID 60687311) is methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)CNC1CC1.
What is the InChIKey of methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate?
The InChIKey is CLYADCDKYXAJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(9(13)14-2)11-8(12)5-10-7-3-4-7/h6-7,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate?
methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate has a molecular weight of 200.24 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate is sourced from PubChem (CID 60687311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).