4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid

C13H17NO5 — CID 117009152

IUPAC4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid
SMILESCOc1ccc(OC)c(N2CCOCC2C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-17-9-3-4-12(18-2)10(7-9)14-5-6-19-8-11(14)13(15)16/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyWSXFMTHKTXICSJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.99
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid

4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid (PubChem CID 117009152) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid
PubChem CID117009152
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid
SMILESCOc1ccc(OC)c(N2CCOCC2C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-17-9-3-4-12(18-2)10(7-9)14-5-6-19-8-11(14)13(15)16/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyWSXFMTHKTXICSJ-UHFFFAOYSA-N
XLogP0.99
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,5-dimethoxyphenyl)morpholin-3-yl]-N-methylmethanamine
CID 117003728
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
(4S)-1-(2,5-dimethoxyphenyl)-4-[(3R)-3-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 94021989
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
CID 119216678
4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid
CID 117009158
(3S)-4-[(2R)-2-(4-methoxyphenyl)propanoyl]morpholine-3-carboxylic acid
CID 125119447
(3S)-4-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133250
(3S)-4-(5-bromo-2-methoxyphenyl)-3-methylmorpholine
CID 175067337
2-[1,4-bis(2,5-dimethoxyphenyl)-3-oxopiperazin-2-yl]acetic acid
CID 21203784
4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid
CID 114074932
[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
CID 117009222
(3S)-4-[2-(2-methoxy-4-methylphenoxy)acetyl]morpholine-3-carboxylic acid
CID 125149365

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid (CID 117009152) is 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid is COc1ccc(OC)c(N2CCOCC2C(=O)O)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid?
The InChIKey is WSXFMTHKTXICSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-17-9-3-4-12(18-2)10(7-9)14-5-6-19-8-11(14)13(15)16/h3-4,7,11H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid?
4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 117009152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).