(1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate

C20H16ClN3O3 — CID 55930254

IUPAC(1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cn2ccccc2c1C#N
InChIInChI=1S/C20H16ClN3O3/c1-13(23-19(25)15-6-2-3-7-17(15)21)20(26)27-12-14-11-24-9-5-4-8-18(24)16(14)10-22/h2-9,11,13H,12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyAYMKCFWFHOJMKM-ZDUSSCGKSA-N
MW381.82 g/mol
LogP3.33
Rot. Bonds5

About (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate

(1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 55930254) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name(1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID55930254
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name(1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate
SMILESC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cn2ccccc2c1C#N
InChIInChI=1S/C20H16ClN3O3/c1-13(23-19(25)15-6-2-3-7-17(15)21)20(26)27-12-14-11-24-9-5-4-8-18(24)16(14)10-22/h2-9,11,13H,12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyAYMKCFWFHOJMKM-ZDUSSCGKSA-N
XLogP3.33
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)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

(1-cyanoindolizin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 42936709
(1-cyanoindolizin-2-yl)methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate
CID 16624698
(1-cyanoindolizin-2-yl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 16616439
2-[(1-cyanoindolizin-2-yl)methylsulfanyl]propanoic acid
CID 43244827
(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate
CID 18148882
(1-cyanoindolizin-2-yl)methyl 3,5-difluorobenzoate
CID 16617072
(1-cyanoindolizin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 16616466
(1-cyanoindolizin-2-yl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 16616503
(1-cyanoindolizin-2-yl)methyl 2-(4-bromophenoxy)acetate
CID 16619726
(1-cyanoindolizin-2-yl)methyl 2-chloroquinoline-6-carboxylate
CID 55730421
(1-cyanoindolizin-2-yl)methyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate
CID 16616552
4-methylpentyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 91716474

Frequently Asked Questions

What is the IUPAC name of (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate (CID 55930254) is (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate is C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cn2ccccc2c1C#N.
What is the InChIKey of (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is AYMKCFWFHOJMKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-13(23-19(25)15-6-2-3-7-17(15)21)20(26)27-12-14-11-24-9-5-4-8-18(24)16(14)10-22/h2-9,11,13H,12H2,1H3,(H,23,25)/t13-/m0/s1.
What are the key properties of (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate?
(1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 381.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanoindolizin-2-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 55930254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).