methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate

C10H11N3O3 — CID 99817939

IUPACmethyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(C#N)c[nH]1
InChIInChI=1S/C10H11N3O3/c1-16-9(14)2-3-12-10(15)8-4-7(5-11)6-13-8/h4,6,13H,2-3H2,1H3,(H,12,15)
InChIKeySOGXLWDPUSNLRG-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.18
Rot. Bonds4

About methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate

methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate (PubChem CID 99817939) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate
PubChem CID99817939
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(C#N)c[nH]1
InChIInChI=1S/C10H11N3O3/c1-16-9(14)2-3-12-10(15)8-4-7(5-11)6-13-8/h4,6,13H,2-3H2,1H3,(H,12,15)
InChIKeySOGXLWDPUSNLRG-UHFFFAOYSA-N
XLogP0.18
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)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

4-cyano-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 121494229
4-cyano-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 122558978
4-cyano-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-pyrrole-2-carboxamide
CID 111697712
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
methyl 6-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]hexanoate
CID 31841297
methyl (3S)-3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]-3-(2,4-difluorophenyl)propanoate
CID 99848117
4-cyano-N-(2-hydroxy-5-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 71852535
methyl 3-[[3-[(4-cyanophenyl)methoxy]benzoyl]amino]propanoate
CID 139616417
methyl 3-(4-cyanoanilino)propanoate
CID 43243076
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-cyano-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-pyrrole-2-carboxamide
CID 111696564
methyl 3-[[3-[[3,5-bis[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]methyl]-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzoyl]amino]propanoate
CID 15840385

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate (CID 99817939) is methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cc(C#N)c[nH]1.
What is the InChIKey of methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate?
The InChIKey is SOGXLWDPUSNLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-9(14)2-3-12-10(15)8-4-7(5-11)6-13-8/h4,6,13H,2-3H2,1H3,(H,12,15).
What are the key properties of methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate?
methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate has a molecular weight of 221.22 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-cyano-1H-pyrrole-2-carbonyl)amino]propanoate is sourced from PubChem (CID 99817939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).