4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid

C12H14ClNO3 — CID 117008772

IUPAC4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid
SMILESCc1c(Cl)cccc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H14ClNO3/c1-8-9(13)3-2-4-10(8)14-5-6-17-11(7-14)12(15)16/h2-4,11H,5-7H2,1H3,(H,15,16)
InChIKeyKGKKJDQABAVFCE-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.94
Rot. Bonds2

About 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid

4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid (PubChem CID 117008772) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid
PubChem CID117008772
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid
SMILESCc1c(Cl)cccc1N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H14ClNO3/c1-8-9(13)3-2-4-10(8)14-5-6-17-11(7-14)12(15)16/h2-4,11H,5-7H2,1H3,(H,15,16)
InChIKeyKGKKJDQABAVFCE-UHFFFAOYSA-N
XLogP1.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-nitrophenyl)morpholine-2-carboxylic acid
CID 104835149
4-(2,6-dimethylphenyl)morpholine-2-carboxylic acid
CID 117008757
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
CID 43562848
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 43122244
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
2-[2-(aminomethyl)morpholin-4-yl]-6-chlorobenzamide
CID 114399438
1-(3-chloro-2-methylphenyl)azetidin-3-amine
CID 117002816
(2S)-4-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129468641
(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide
CID 97258760

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid (CID 117008772) is 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid is Cc1c(Cl)cccc1N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid?
The InChIKey is KGKKJDQABAVFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8-9(13)3-2-4-10(8)14-5-6-17-11(7-14)12(15)16/h2-4,11H,5-7H2,1H3,(H,15,16).
What are the key properties of 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid?
4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 117008772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).