methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate

C15H20N2O4 — CID 61348221

IUPACmethyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H20N2O4/c1-10(18)11-5-3-6-12(9-11)16-15(20)17-8-4-7-13(17)14(19)21-2/h3,5-6,9-10,13,18H,4,7-8H2,1-2H3,(H,16,20)
InChIKeyXPJCTCKREDAXKB-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.91
Rot. Bonds3

About methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate

methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate (PubChem CID 61348221) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
PubChem CID61348221
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H20N2O4/c1-10(18)11-5-3-6-12(9-11)16-15(20)17-8-4-7-13(17)14(19)21-2/h3,5-6,9-10,13,18H,4,7-8H2,1-2H3,(H,16,20)
InChIKeyXPJCTCKREDAXKB-UHFFFAOYSA-N
XLogP1.91
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536142
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3230204
(2R)-1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 1442922
1-N-(3-methoxyphenyl)-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 646616
1-N-[3-(1-hydroxyethyl)phenyl]piperidine-1,4-dicarboxamide
CID 61347794
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
N-[3-(1-hydroxyethyl)phenyl]-3-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 102885946

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate (CID 61348221) is methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate?
The InChIKey is XPJCTCKREDAXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)11-5-3-6-12(9-11)16-15(20)17-8-4-7-13(17)14(19)21-2/h3,5-6,9-10,13,18H,4,7-8H2,1-2H3,(H,16,20).
What are the key properties of methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate?
methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-(1-hydroxyethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 61348221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).