(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid

C15H16ClNO4 — CID 125152161

IUPAC(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H16ClNO4/c16-10-3-1-2-9(6-10)11-7-12(11)14(18)17-4-5-21-13(8-17)15(19)20/h1-3,6,11-13H,4-5,7-8H2,(H,19,20)/t11-,12-,13-/m0/s1
InChIKeyNGYGCROSNWFYMM-AVGNSLFASA-N
MW309.75 g/mol
LogP1.76
Rot. Bonds3

About (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid

(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid (PubChem CID 125152161) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
PubChem CID125152161
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H16ClNO4/c16-10-3-1-2-9(6-10)11-7-12(11)14(18)17-4-5-21-13(8-17)15(19)20/h1-3,6,11-13H,4-5,7-8H2,(H,19,20)/t11-,12-,13-/m0/s1
InChIKeyNGYGCROSNWFYMM-AVGNSLFASA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[(1R,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152163
4-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 119240168
(2S)-4-[(1R,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125120523
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
(3S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125153592
(4-aminopiperidin-1-yl)-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119374366
(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125153479
[2-(3-chlorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489930
[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 52910524
[4-(aminomethyl)piperidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 119423325
[2-(3-chlorophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 119415861
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 125146800

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid (CID 125152161) is (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCO1.
What is the InChIKey of (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
The InChIKey is NGYGCROSNWFYMM-AVGNSLFASA-N. The full InChI is InChI=1S/C15H16ClNO4/c16-10-3-1-2-9(6-10)11-7-12(11)14(18)17-4-5-21-13(8-17)15(19)20/h1-3,6,11-13H,4-5,7-8H2,(H,19,20)/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid?
(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid has a molecular weight of 309.75 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125152161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).