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

C16H19NO4 — CID 125133187

IUPAC(3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
SMILESCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C16H19NO4/c1-10-4-2-3-5-11(10)12-8-13(12)15(18)17-6-7-21-9-14(17)16(19)20/h2-5,12-14H,6-9H2,1H3,(H,19,20)/t12-,13+,14-/m0/s1
InChIKeyHLHOJYZWURASHO-MJBXVCDLSA-N
MW289.33 g/mol
LogP1.41
Rot. Bonds3

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

(3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid (PubChem CID 125133187) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
PubChem CID125133187
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
SMILESCc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C16H19NO4/c1-10-4-2-3-5-11(10)12-8-13(12)15(18)17-6-7-21-9-14(17)16(19)20/h2-5,12-14H,6-9H2,1H3,(H,19,20)/t12-,13+,14-/m0/s1
InChIKeyHLHOJYZWURASHO-MJBXVCDLSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119216599
(3S)-4-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133540
(3S)-4-[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133538
4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119216768
(3S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125153592
(3S)-4-[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125154079
4-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119217087
(3S)-4-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125151698
(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone
CID 120572372
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
CID 124573529
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid (CID 125133187) is (3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid is Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1C(=O)O.
What is the InChIKey of (3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid?
The InChIKey is HLHOJYZWURASHO-MJBXVCDLSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-4-2-3-5-11(10)12-8-13(12)15(18)17-6-7-21-9-14(17)16(19)20/h2-5,12-14H,6-9H2,1H3,(H,19,20)/t12-,13+,14-/m0/s1.
What are the key properties of (3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid?
(3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125133187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).