4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid

C17H20N2O4 — CID 166317726

IUPAC4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid
SMILESCN1C(=O)CC[C@H]1C(=O)NCC1(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C17H20N2O4/c1-19-13(6-7-14(19)20)15(21)18-10-17(8-9-17)12-4-2-11(3-5-12)16(22)23/h2-5,13H,6-10H2,1H3,(H,18,21)(H,22,23)/t13-/m0/s1
InChIKeyRLXIOTQEWOYYTE-ZDUSSCGKSA-N
MW316.36 g/mol
LogP1.15
Rot. Bonds5

About 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid

4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid (PubChem CID 166317726) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid
PubChem CID166317726
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid
SMILESCN1C(=O)CC[C@H]1C(=O)NCC1(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C17H20N2O4/c1-19-13(6-7-14(19)20)15(21)18-10-17(8-9-17)12-4-2-11(3-5-12)16(22)23/h2-5,13H,6-10H2,1H3,(H,18,21)(H,22,23)/t13-/m0/s1
InChIKeyRLXIOTQEWOYYTE-ZDUSSCGKSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid with MolForge

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Related Compounds

(2R)-N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 136586418
4-[1-(methylaminomethyl)cyclopropyl]benzoic acid
CID 116989151
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261
1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 71918441
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 91955683
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55745993
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410982
(2S)-N-[(1-pyridin-4-ylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164630609
(3S)-1-(2-methoxyethyl)-6-oxo-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 26316413
1-(2-methoxyethyl)-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-oxopiperidine-3-carboxamide
CID 45239522

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid?
The IUPAC name of 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid (CID 166317726) is 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid.
What is the SMILES notation for 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid?
The canonical SMILES for 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid is CN1C(=O)CC[C@H]1C(=O)NCC1(c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid?
The InChIKey is RLXIOTQEWOYYTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-19-13(6-7-14(19)20)15(21)18-10-17(8-9-17)12-4-2-11(3-5-12)16(22)23/h2-5,13H,6-10H2,1H3,(H,18,21)(H,22,23)/t13-/m0/s1.
What are the key properties of 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid?
4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid has a molecular weight of 316.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid is sourced from PubChem (CID 166317726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).