4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide

C20H24N4O3 — CID 21341688

IUPAC4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)NC1CNC(C(=O)Nc2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N4O3/c21-11-19(25)23-16-10-18(22-12-16)20(26)24-15-6-8-17(9-7-15)27-13-14-4-2-1-3-5-14/h1-9,16,18,22H,10-13,21H2,(H,23,25)(H,24,26)
InChIKeyIKQZKOUSWWIRPG-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.01
Rot. Bonds7

About 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide

4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 21341688) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID21341688
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)NC1CNC(C(=O)Nc2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N4O3/c21-11-19(25)23-16-10-18(22-12-16)20(26)24-15-6-8-17(9-7-15)27-13-14-4-2-1-3-5-14/h1-9,16,18,22H,10-13,21H2,(H,23,25)(H,24,26)
InChIKeyIKQZKOUSWWIRPG-UHFFFAOYSA-N
XLogP1.01
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide 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

(2S)-4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 70172928
4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
CID 22458586
(2S,4R)-4-[(2-aminoacetyl)amino]-N-(4-benzylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 70176445
4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 21341689
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[(2R)-1-(3,4-dimethylanilino)-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 21341589
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
(2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
CID 70177018
(2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 45072529
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 70176939
benzyl 4-(3-methylbutanoylamino)pyrrolidine-2-carboxylate
CID 153335145
6-[(4-phenylmethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 113218895

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide (CID 21341688) is 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide is NCC(=O)NC1CNC(C(=O)Nc2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is IKQZKOUSWWIRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-11-19(25)23-16-10-18(22-12-16)20(26)24-15-6-8-17(9-7-15)27-13-14-4-2-1-3-5-14/h1-9,16,18,22H,10-13,21H2,(H,23,25)(H,24,26).
What are the key properties of 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide?
4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 21341688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).