(4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid

C11H11ClN2O4 — CID 58691300

IUPAC(4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1COCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O4/c12-7-1-3-8(4-2-7)13-11(17)14-6-18-5-9(14)10(15)16/h1-4,9H,5-6H2,(H,13,17)(H,15,16)/t9-/m1/s1
InChIKeyGEAWXWFUOVXLRZ-SECBINFHSA-N
MW270.67 g/mol
LogP1.61
Rot. Bonds2

About (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid

(4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid (PubChem CID 58691300) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid
PubChem CID58691300
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name(4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1COCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O4/c12-7-1-3-8(4-2-7)13-11(17)14-6-18-5-9(14)10(15)16/h1-4,9H,5-6H2,(H,13,17)(H,15,16)/t9-/m1/s1
InChIKeyGEAWXWFUOVXLRZ-SECBINFHSA-N
XLogP1.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 110473498
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
methyl 3-[(4-chlorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110190161
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid (CID 58691300) is (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid is O=C(O)[C@H]1COCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is GEAWXWFUOVXLRZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-7-1-3-8(4-2-7)13-11(17)14-6-18-5-9(14)10(15)16/h1-4,9H,5-6H2,(H,13,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid?
(4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 270.67 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(4-chlorophenyl)carbamoyl]-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 58691300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).