(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid

C13H17NO4 — CID 51441015

IUPAC(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(CN2CCO[C@H](C(=O)O)C2)cc1
InChIInChI=1S/C13H17NO4/c1-17-11-4-2-10(3-5-11)8-14-6-7-18-12(9-14)13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyMAVWHJIAYILIRK-LBPRGKRZSA-N
MW251.28 g/mol
LogP0.98
Rot. Bonds4

About (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid

(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid (PubChem CID 51441015) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
PubChem CID51441015
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
SMILESCOc1ccc(CN2CCO[C@H](C(=O)O)C2)cc1
InChIInChI=1S/C13H17NO4/c1-17-11-4-2-10(3-5-11)8-14-6-7-18-12(9-14)13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyMAVWHJIAYILIRK-LBPRGKRZSA-N
XLogP0.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 63985912
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 129053759
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
CID 154779710

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid (CID 51441015) is (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid is COc1ccc(CN2CCO[C@H](C(=O)O)C2)cc1.
What is the InChIKey of (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid?
The InChIKey is MAVWHJIAYILIRK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-11-4-2-10(3-5-11)8-14-6-7-18-12(9-14)13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid?
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 51441015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).