2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid

C15H20N2O4 — CID 114799067

IUPAC2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)N2CCC(CCO)C2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-10-2-3-13(12(8-10)14(19)20)16-15(21)17-6-4-11(9-17)5-7-18/h2-3,8,11,18H,4-7,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyLUVCJXUAKRXAEI-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.93
Rot. Bonds4

About 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid

2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid (PubChem CID 114799067) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid
PubChem CID114799067
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)N2CCC(CCO)C2)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-10-2-3-13(12(8-10)14(19)20)16-15(21)17-6-4-11(9-17)5-7-18/h2-3,8,11,18H,4-7,9H2,1H3,(H,16,21)(H,19,20)
InChIKeyLUVCJXUAKRXAEI-UHFFFAOYSA-N
XLogP1.93
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 114799068
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-5-methylbenzoic acid
CID 62931539
4-bromo-3-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 107814374
N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115667783
5-fluoro-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64599438
3-(hydroxymethyl)-N-(4-methyl-2-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 111443143
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 113241349
[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228727
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79610817

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid (CID 114799067) is 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)N2CCC(CCO)C2)c(C(=O)O)c1.
What is the InChIKey of 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid?
The InChIKey is LUVCJXUAKRXAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-2-3-13(12(8-10)14(19)20)16-15(21)17-6-4-11(9-17)5-7-18/h2-3,8,11,18H,4-7,9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid?
2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 114799067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).