(2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid

C13H17ClN2O3 — CID 174210432

IUPAC(2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid
SMILESCc1cc(Cl)ccc1NC[C@@H]1CN(C(=O)O)CCO1
InChIInChI=1S/C13H17ClN2O3/c1-9-6-10(14)2-3-12(9)15-7-11-8-16(13(17)18)4-5-19-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyVZLRDHPBTCLLJZ-LLVKDONJSA-N
MW284.74 g/mol
LogP2.44
Rot. Bonds3

About (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid

(2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid (PubChem CID 174210432) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid
PubChem CID174210432
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid
SMILESCc1cc(Cl)ccc1NC[C@@H]1CN(C(=O)O)CCO1
InChIInChI=1S/C13H17ClN2O3/c1-9-6-10(14)2-3-12(9)15-7-11-8-16(13(17)18)4-5-19-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyVZLRDHPBTCLLJZ-LLVKDONJSA-N
XLogP2.44
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
CID 114401232
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434437
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
(2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide
CID 124565593
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959913
(2S)-2-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)methyl]morpholine-4-carboxylic acid
CID 174210765
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
CID 125118700
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid?
The IUPAC name of (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid (CID 174210432) is (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid?
The canonical SMILES for (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid is Cc1cc(Cl)ccc1NC[C@@H]1CN(C(=O)O)CCO1.
What is the InChIKey of (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid?
The InChIKey is VZLRDHPBTCLLJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-9-6-10(14)2-3-12(9)15-7-11-8-16(13(17)18)4-5-19-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid?
(2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chloro-2-methylanilino)methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 174210432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).