methyl 3-[(2-anilinoacetyl)amino]propanoate

C12H16N2O3 — CID 60671204

IUPACmethyl 3-[(2-anilinoacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)CNc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-17-12(16)7-8-13-11(15)9-14-10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3,(H,13,15)
InChIKeyROVRMWUKXKBVIW-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.78
Rot. Bonds6

About methyl 3-[(2-anilinoacetyl)amino]propanoate

methyl 3-[(2-anilinoacetyl)amino]propanoate (PubChem CID 60671204) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 3-[(2-anilinoacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-anilinoacetyl)amino]propanoate
PubChem CID60671204
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 3-[(2-anilinoacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)CNc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-17-12(16)7-8-13-11(15)9-14-10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3,(H,13,15)
InChIKeyROVRMWUKXKBVIW-UHFFFAOYSA-N
XLogP0.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2-anilinoacetyl)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

methyl 4-[(2-anilinoacetyl)amino]butanoate
CID 60671224
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585
3-[(2-anilinoacetyl)amino]-N-carbamoylpropanamide
CID 119819005
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 118927964
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
2-anilino-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 60671281
methyl 3-(3-phenylbutanoylamino)propanoate
CID 78784490
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-anilinoacetyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-anilinoacetyl)amino]propanoate (CID 60671204) is methyl 3-[(2-anilinoacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-anilinoacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-anilinoacetyl)amino]propanoate is COC(=O)CCNC(=O)CNc1ccccc1.
What is the InChIKey of methyl 3-[(2-anilinoacetyl)amino]propanoate?
The InChIKey is ROVRMWUKXKBVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-12(16)7-8-13-11(15)9-14-10-5-3-2-4-6-10/h2-6,14H,7-9H2,1H3,(H,13,15).
What are the key properties of methyl 3-[(2-anilinoacetyl)amino]propanoate?
methyl 3-[(2-anilinoacetyl)amino]propanoate has a molecular weight of 236.27 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-anilinoacetyl)amino]propanoate is sourced from PubChem (CID 60671204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).