methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate

C14H18N2O4 — CID 119775407

IUPACmethyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(O)CN2)cc1C
InChIInChI=1S/C14H18N2O4/c1-8-5-9(3-4-11(8)14(19)20-2)16-13(18)12-6-10(17)7-15-12/h3-5,10,12,15,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyPGLDNRZTTKXFBV-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.44
Rot. Bonds3

About methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate

methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate (PubChem CID 119775407) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
PubChem CID119775407
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(O)CN2)cc1C
InChIInChI=1S/C14H18N2O4/c1-8-5-9(3-4-11(8)14(19)20-2)16-13(18)12-6-10(17)7-15-12/h3-5,10,12,15,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyPGLDNRZTTKXFBV-UHFFFAOYSA-N
XLogP0.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741335
2-bromo-5-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 115296411
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43707822
methyl 4-fluoro-3-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoate
CID 43703157
4-hydroxy-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-2-carboxamide
CID 119798718
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119700281
4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119709484
N-(3-chloro-4-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862536
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate?
The IUPAC name of methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate (CID 119775407) is methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate.
What is the SMILES notation for methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate?
The canonical SMILES for methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate is COC(=O)c1ccc(NC(=O)C2CC(O)CN2)cc1C.
What is the InChIKey of methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate?
The InChIKey is PGLDNRZTTKXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-5-9(3-4-11(8)14(19)20-2)16-13(18)12-6-10(17)7-15-12/h3-5,10,12,15,17H,6-7H2,1-2H3,(H,16,18).
What are the key properties of methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate?
methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate has a molecular weight of 278.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate is sourced from PubChem (CID 119775407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).