2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid

C15H19N3O5 — CID 67392265

IUPAC2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCOc1ccc(C(=O)NC2CNC(C(=O)NCC(=O)O)C2)cc1
InChIInChI=1S/C15H19N3O5/c1-23-11-4-2-9(3-5-11)14(21)18-10-6-12(16-7-10)15(22)17-8-13(19)20/h2-5,10,12,16H,6-8H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyPPIPSFOQVNFQPQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.64
Rot. Bonds6

About 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid

2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 67392265) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID67392265
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
SMILESCOc1ccc(C(=O)NC2CNC(C(=O)NCC(=O)O)C2)cc1
InChIInChI=1S/C15H19N3O5/c1-23-11-4-2-9(3-5-11)14(21)18-10-6-12(16-7-10)15(22)17-8-13(19)20/h2-5,10,12,16H,6-8H2,1H3,(H,17,22)(H,18,21)(H,19,20)
InChIKeyPPIPSFOQVNFQPQ-UHFFFAOYSA-N
XLogP-0.64
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(4-methylbenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid
CID 67392326
3-[(4-benzamidopyrrolidine-2-carbonyl)amino]propanoic acid
CID 67392953
4-[(4-methoxyphenyl)methylamino]-N-propylpyrrolidine-2-carboxamide
CID 175917282
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946
N-[2-(3,4-difluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 175917284
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 74230276
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid (CID 67392265) is 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid is COc1ccc(C(=O)NC2CNC(C(=O)NCC(=O)O)C2)cc1.
What is the InChIKey of 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is PPIPSFOQVNFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-23-11-4-2-9(3-5-11)14(21)18-10-6-12(16-7-10)15(22)17-8-13(19)20/h2-5,10,12,16H,6-8H2,1H3,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid?
2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 321.33 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methoxybenzoyl)amino]pyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 67392265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).