2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid

C16H19ClN2O7 — CID 119247780

IUPAC2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid
SMILESCOc1cc(C(=O)N2CCOC(CC(=O)O)C2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C16H19ClN2O7/c1-24-12-5-9(4-11(17)15(12)26-8-13(18)20)16(23)19-2-3-25-10(7-19)6-14(21)22/h4-5,10H,2-3,6-8H2,1H3,(H2,18,20)(H,21,22)
InChIKeyBKVPBGQSZYUWHL-UHFFFAOYSA-N
MW386.79 g/mol
LogP0.53
Rot. Bonds7

About 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid

2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid (PubChem CID 119247780) has the molecular formula C16H19ClN2O7 and a molecular weight of 386.79 g/mol. Its IUPAC name is 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid
PubChem CID119247780
Molecular FormulaC16H19ClN2O7
Molecular Weight386.79 g/mol
Exact Mass386.09
IUPAC Name2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid
SMILESCOc1cc(C(=O)N2CCOC(CC(=O)O)C2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C16H19ClN2O7/c1-24-12-5-9(4-11(17)15(12)26-8-13(18)20)16(23)19-2-3-25-10(7-19)6-14(21)22/h4-5,10H,2-3,6-8H2,1H3,(H2,18,20)(H,21,22)
InChIKeyBKVPBGQSZYUWHL-UHFFFAOYSA-N
XLogP0.53
TPSA128.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[2-chloro-6-methoxy-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55494400
(3R,4R)-1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120980126
4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid
CID 119239798
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-methylpiperidine-3-carboxamide
CID 119128285
2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 119138060
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256331
(2R)-4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]morpholine-2-carboxylic acid
CID 129468827
2-[2,6-dimethoxy-4-(3-methylpiperidine-1-carbonyl)phenoxy]acetamide
CID 51265105
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide
CID 24637988
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid (CID 119247780) is 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid is COc1cc(C(=O)N2CCOC(CC(=O)O)C2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid?
The InChIKey is BKVPBGQSZYUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O7/c1-24-12-5-9(4-11(17)15(12)26-8-13(18)20)16(23)19-2-3-25-10(7-19)6-14(21)22/h4-5,10H,2-3,6-8H2,1H3,(H2,18,20)(H,21,22).
What are the key properties of 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid?
2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid has a molecular weight of 386.79 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).