ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

C19H26N2O4 — CID 93141393

IUPACethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESC=CCN(C(=O)C1CC1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C
InChIInChI=1S/C19H26N2O4/c1-6-10-21(18(23)14-8-9-14)13(5)17(22)15-11(3)16(20-12(15)4)19(24)25-7-2/h6,13-14,20H,1,7-10H2,2-5H3/t13-/m0/s1
InChIKeyWEZHIPHYQBBMRT-ZDUSSCGKSA-N
MW346.43 g/mol
LogP2.80
Rot. Bonds8

About ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 93141393) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID93141393
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nameethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESC=CCN(C(=O)C1CC1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C
InChIInChI=1S/C19H26N2O4/c1-6-10-21(18(23)14-8-9-14)13(5)17(22)15-11(3)16(20-12(15)4)19(24)25-7-2/h6,13-14,20H,1,7-10H2,2-5H3/t13-/m0/s1
InChIKeyWEZHIPHYQBBMRT-ZDUSSCGKSA-N
XLogP2.80
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate 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

ethyl 4-[(2R)-2-[cyclopropanecarbonyl(3-methylbutyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93141366
ethyl 4-[2-[cyclopentanecarbonyl(ethyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674766
ethyl 4-[2-[cyclopropanecarbonyl(propan-2-yl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42800474
ethyl 4-[(2S)-2-[cyclobutanecarbonyl(2-methylpropyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93141227
ethyl 4-[2-[cyclobutanecarbonyl(propyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674425
ethyl 4-[2-[cyclobutanecarbonyl(methyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674495
ethyl 4-[2-[cyclobutanecarbonyl(propan-2-yl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42672487
ethyl 4-[2-[cyclopropanecarbonyl(pyridin-2-ylmethyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674780
methyl 4-[2-[cyclopropanecarbonyl(3-methylbutyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42822628
ethyl 4-[2-[acetyl(propyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42674423
methyl 4-[2-[cyclopropanecarbonyl(methyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42675046
methyl 4-[(2R)-2-[cyclopropanecarbonyl-[[(2R)-oxolan-2-yl]methyl]amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 93141656

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 93141393) is ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is C=CCN(C(=O)C1CC1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C.
What is the InChIKey of ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is WEZHIPHYQBBMRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-6-10-21(18(23)14-8-9-14)13(5)17(22)15-11(3)16(20-12(15)4)19(24)25-7-2/h6,13-14,20H,1,7-10H2,2-5H3/t13-/m0/s1.
What are the key properties of ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-2-[cyclopropanecarbonyl(prop-2-enyl)amino]propanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 93141393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).