2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid

C16H19ClN2O5 — CID 119206435

IUPAC2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C16H19ClN2O5/c1-3-18(9-15(21)22)16(23)10-6-14(20)19(8-10)12-7-11(17)4-5-13(12)24-2/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,21,22)
InChIKeyFZHMOCDQTWKCKW-UHFFFAOYSA-N
MW354.79 g/mol
LogP1.63
Rot. Bonds6

About 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid

2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid (PubChem CID 119206435) has the molecular formula C16H19ClN2O5 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
PubChem CID119206435
Molecular FormulaC16H19ClN2O5
Molecular Weight354.79 g/mol
Exact Mass354.10
IUPAC Name2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C16H19ClN2O5/c1-3-18(9-15(21)22)16(23)10-6-14(20)19(8-10)12-7-11(17)4-5-13(12)24-2/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,21,22)
InChIKeyFZHMOCDQTWKCKW-UHFFFAOYSA-N
XLogP1.63
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55594663
1-(5-chloro-2-methoxyphenyl)-N-methoxy-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51148983
4-(azetidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 134015599
2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
CID 119206525
(3R)-1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 31151033
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 9489350
2-[(2R)-4-[(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132490
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502369
(3R)-1-(5-chloro-2-methoxyphenyl)-N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004503
methyl 1-(4-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693419
3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid
CID 119191735
1-(5-chloro-2-methoxyphenyl)-N-[(2-nitrophenyl)methyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 112831062

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid (CID 119206435) is 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)C1CC(=O)N(c2cc(Cl)ccc2OC)C1.
What is the InChIKey of 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid?
The InChIKey is FZHMOCDQTWKCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5/c1-3-18(9-15(21)22)16(23)10-6-14(20)19(8-10)12-7-11(17)4-5-13(12)24-2/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,21,22).
What are the key properties of 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid?
2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid has a molecular weight of 354.79 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid is sourced from PubChem (CID 119206435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).