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

C13H17ClN4O2 — CID 21341689

IUPAC4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)NC1CNC(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN4O2/c14-8-1-3-9(4-2-8)18-13(20)11-5-10(7-16-11)17-12(19)6-15/h1-4,10-11,16H,5-7,15H2,(H,17,19)(H,18,20)
InChIKeyRPGLIIYCLDIARU-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.08
Rot. Bonds4

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

4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide (PubChem CID 21341689) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
PubChem CID21341689
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)NC1CNC(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN4O2/c14-8-1-3-9(4-2-8)18-13(20)11-5-10(7-16-11)17-12(19)6-15/h1-4,10-11,16H,5-7,15H2,(H,17,19)(H,18,20)
InChIKeyRPGLIIYCLDIARU-UHFFFAOYSA-N
XLogP0.08
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-[(2-aminoacetyl)amino]-N-(4-benzylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 70176445
4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
CID 21341688
(2S)-4-[(2-aminoacetyl)amino]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 70172928
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[5-(4-chlorophenyl)thiolan-3-yl]pyrrolidine-2-carboxamide
CID 57084869
(2S,4R)-4-[(2-aminoacetyl)amino]-N-(5-chloro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 70176467
4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
CID 22458586
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[(2R)-1-(4-chloro-3-methylanilino)-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 21341436
2-amino-N-[(5R)-5-[4-(3,5-dichlorophenoxy)piperidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 70175516
(2S,4R)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
CID 70177018
(2S)-4-[(2-aminoacetyl)amino]pyrrolidine-2-carboxylic acid;(4-phenylphenyl)methanamine
CID 70177013
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide (CID 21341689) is 4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide is NCC(=O)NC1CNC(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is RPGLIIYCLDIARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-8-1-3-9(4-2-8)18-13(20)11-5-10(7-16-11)17-12(19)6-15/h1-4,10-11,16H,5-7,15H2,(H,17,19)(H,18,20).
What are the key properties of 4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide?
4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminoacetyl)amino]-N-(4-chlorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 21341689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).