2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid

C16H21ClN2O5 — CID 120606962

IUPAC2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCOc1cc(Cl)ccc1C(=O)N1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C16H21ClN2O5/c1-18(10-15(20)21)8-12-9-19(5-6-24-12)16(22)13-4-3-11(17)7-14(13)23-2/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,20,21)
InChIKeySDCXVARNCXFRIV-UHFFFAOYSA-N
MW356.81 g/mol
LogP1.21
Rot. Bonds6

About 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 120606962) has the molecular formula C16H21ClN2O5 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID120606962
Molecular FormulaC16H21ClN2O5
Molecular Weight356.81 g/mol
Exact Mass356.11
IUPAC Name2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCOc1cc(Cl)ccc1C(=O)N1CCOC(CN(C)CC(=O)O)C1
InChIInChI=1S/C16H21ClN2O5/c1-18(10-15(20)21)8-12-9-19(5-6-24-12)16(22)13-4-3-11(17)7-14(13)23-2/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,20,21)
InChIKeySDCXVARNCXFRIV-UHFFFAOYSA-N
XLogP1.21
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651
2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607008
(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476430
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[[4-[(4-methoxy-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043633
2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072108
2-[[4-[(3-chloro-4-propan-2-yloxyphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122075883
1-(4-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031979

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 120606962) is 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid is COc1cc(Cl)ccc1C(=O)N1CCOC(CN(C)CC(=O)O)C1.
What is the InChIKey of 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is SDCXVARNCXFRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5/c1-18(10-15(20)21)8-12-9-19(5-6-24-12)16(22)13-4-3-11(17)7-14(13)23-2/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 356.81 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 120606962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).