methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate

C15H18FN3O4 — CID 95173124

IUPACmethyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate
SMILESCCN1C[C@H](C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1=O
InChIInChI=1S/C15H18FN3O4/c1-3-19-8-9(6-13(19)20)14(21)17-10-4-5-11(16)12(7-10)18-15(22)23-2/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,21)(H,18,22)/t9-/m1/s1
InChIKeyLALOYAJZUPHTFI-SECBINFHSA-N
MW323.32 g/mol
LogP1.81
Rot. Bonds4

About methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate

methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate (PubChem CID 95173124) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate
PubChem CID95173124
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC Namemethyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate
SMILESCCN1C[C@H](C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1=O
InChIInChI=1S/C15H18FN3O4/c1-3-19-8-9(6-13(19)20)14(21)17-10-4-5-11(16)12(7-10)18-15(22)23-2/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,21)(H,18,22)/t9-/m1/s1
InChIKeyLALOYAJZUPHTFI-SECBINFHSA-N
XLogP1.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506
N-(3,4-difluorophenyl)-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185480
N-(3,4-difluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183892
N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125472
N-(3,4-difluorophenyl)-1-[2-(3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184601
(3R)-1-ethyl-N-[2-(methoxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94118374
(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95295849
N-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 44777957
(3R)-N-(2-fluoro-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93250933
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52578120

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate?
The IUPAC name of methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate (CID 95173124) is methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate.
What is the SMILES notation for methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate?
The canonical SMILES for methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate is CCN1C[C@H](C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1=O.
What is the InChIKey of methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate?
The InChIKey is LALOYAJZUPHTFI-SECBINFHSA-N. The full InChI is InChI=1S/C15H18FN3O4/c1-3-19-8-9(6-13(19)20)14(21)17-10-4-5-11(16)12(7-10)18-15(22)23-2/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,21)(H,18,22)/t9-/m1/s1.
What are the key properties of methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate?
methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate has a molecular weight of 323.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate is sourced from PubChem (CID 95173124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).