1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid

C15H15BrN2O4 — CID 124700448

IUPAC1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C15H15BrN2O4/c16-10-2-1-3-11(7-10)18-8-9(6-12(18)19)13(20)17-15(4-5-15)14(21)22/h1-3,7,9H,4-6,8H2,(H,17,20)(H,21,22)/t9-/m1/s1
InChIKeyYRUWSQQJSAYCNR-SECBINFHSA-N
MW367.20 g/mol
LogP1.54
Rot. Bonds4

About 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid

1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 124700448) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
PubChem CID124700448
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1
InChIInChI=1S/C15H15BrN2O4/c16-10-2-1-3-11(7-10)18-8-9(6-12(18)19)13(20)17-15(4-5-15)14(21)22/h1-3,7,9H,4-6,8H2,(H,17,20)(H,21,22)/t9-/m1/s1
InChIKeyYRUWSQQJSAYCNR-SECBINFHSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700111
(3S)-1-(3-bromophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 51935549
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-(3-bromophenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42952948
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
(3S)-1-(3-bromophenyl)-N-(5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 52636988
1-[[(3R)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 97185380
1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120688398
1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95578629

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid (CID 124700448) is 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1.
What is the InChIKey of 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is YRUWSQQJSAYCNR-SECBINFHSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c16-10-2-1-3-11(7-10)18-8-9(6-12(18)19)13(20)17-15(4-5-15)14(21)22/h1-3,7,9H,4-6,8H2,(H,17,20)(H,21,22)/t9-/m1/s1.
What are the key properties of 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid?
1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 367.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124700448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).