N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide

C14H19N3O4 — CID 43707822

IUPACN-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CC(O)CN1
InChIInChI=1S/C14H19N3O4/c1-8(18)16-9-3-4-13(21-2)11(5-9)17-14(20)12-6-10(19)7-15-12/h3-5,10,12,15,19H,6-7H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyMOPOHFRQHPDIFU-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.31
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide

N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43707822) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43707822
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CC(O)CN1
InChIInChI=1S/C14H19N3O4/c1-8(18)16-9-3-4-13(21-2)11(5-9)17-14(20)12-6-10(19)7-15-12/h3-5,10,12,15,19H,6-7H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyMOPOHFRQHPDIFU-UHFFFAOYSA-N
XLogP0.31
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703764
N-(4,5-dimethoxy-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119679098
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119700281
4-hydroxy-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119848523
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695323
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
methyl 4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2-methylbenzoate
CID 119775407
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-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862651

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide (CID 43707822) is N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1CC(O)CN1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is MOPOHFRQHPDIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8(18)16-9-3-4-13(21-2)11(5-9)17-14(20)12-6-10(19)7-15-12/h3-5,10,12,15,19H,6-7H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 0.31, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43707822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).