4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide

C20H24N4O3 — CID 22458586

IUPAC4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)NC1CNC(C(=O)Nc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C20H24N4O3/c21-11-19(25)23-16-10-18(22-12-16)20(26)24-15-7-4-8-17(9-15)27-13-14-5-2-1-3-6-14/h1-9,16,18,22H,10-13,21H2,(H,23,25)(H,24,26)
InChIKeyHVSXQPOMDMUUGR-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.01
Rot. Bonds7

About 4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide

4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 22458586) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID22458586
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide
SMILESNCC(=O)NC1CNC(C(=O)Nc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C20H24N4O3/c21-11-19(25)23-16-10-18(22-12-16)20(26)24-15-7-4-8-17(9-15)27-13-14-5-2-1-3-6-14/h1-9,16,18,22H,10-13,21H2,(H,23,25)(H,24,26)
InChIKeyHVSXQPOMDMUUGR-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

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Related Compounds

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
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[(2R)-1-(3,4-dimethylanilino)-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 21341589
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
(2S,4R)-4-[(2-aminoacetyl)amino]-N-[1-[(6,7-dimethylquinolin-3-yl)amino]-1-oxo-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
CID 139559130
(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
(2S,4S)-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
CID 45072529
4-chloro-N-(3-phenylmethoxyphenyl)butanamide
CID 17161005
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
(3aR,5R,6S,7aS)-5,6-dihydroxy-N-(3-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 72912891
(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95765039

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide (CID 22458586) is 4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide is NCC(=O)NC1CNC(C(=O)Nc2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of 4-[(2-aminoacetyl)amino]-N-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HVSXQPOMDMUUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c21-11-19(25)23-16-10-18(22-12-16)20(26)24-15-7-4-8-17(9-15)27-13-14-5-2-1-3-6-14/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-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide?
4-[(2-aminoacetyl)amino]-N-(3-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-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 22458586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).