1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid

C15H19N3O4 — CID 119353854

IUPAC1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc(NC(=O)NCC(=O)N2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H19N3O4/c1-10-3-2-4-12(7-10)17-15(22)16-8-13(19)18-6-5-11(9-18)14(20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21)(H2,16,17,22)
InChIKeyBILHRIZQNSRETL-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.05
Rot. Bonds4

About 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid

1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 119353854) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID119353854
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1cccc(NC(=O)NCC(=O)N2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H19N3O4/c1-10-3-2-4-12(7-10)17-15(22)16-8-13(19)18-6-5-11(9-18)14(20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21)(H2,16,17,22)
InChIKeyBILHRIZQNSRETL-UHFFFAOYSA-N
XLogP1.05
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]urea
CID 55678721
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
CID 55993829
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea;hydrochloride
CID 119664508
1-(3-methylphenyl)-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]urea
CID 55678475
tert-butyl N-methyl-N-[[1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidin-3-yl]methyl]carbamate
CID 47796203
1-[2-[(3-methylphenyl)methylsulfanyl]acetyl]pyrrolidine-3-carboxylic acid
CID 63032493
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid (CID 119353854) is 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid is Cc1cccc(NC(=O)NCC(=O)N2CCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BILHRIZQNSRETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10-3-2-4-12(7-10)17-15(22)16-8-13(19)18-6-5-11(9-18)14(20)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21)(H2,16,17,22).
What are the key properties of 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid?
1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119353854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).