3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid

C14H18N2O4 — CID 115340051

IUPAC3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(18)6-3-10-1-4-11(5-2-10)16-14(19)12-9-15-7-8-20-12/h1-2,4-5,12,15H,3,6-9H2,(H,16,19)(H,17,18)
InChIKeyMIIMNXVYIIVUIH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.63
Rot. Bonds5

About 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid

3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid (PubChem CID 115340051) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
PubChem CID115340051
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(18)6-3-10-1-4-11(5-2-10)16-14(19)12-9-15-7-8-20-12/h1-2,4-5,12,15H,3,6-9H2,(H,16,19)(H,17,18)
InChIKeyMIIMNXVYIIVUIH-UHFFFAOYSA-N
XLogP0.63
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
3-[4-(oxane-2-carbonylamino)phenyl]propanoic acid
CID 115339436
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
2-methyl-2-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 80549799
N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119868290
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide
CID 119761357
N-[4-(propylcarbamoyl)phenyl]morpholine-2-carboxamide
CID 119739016
N-[4-(2-amino-2-oxoethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119709306
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119844969

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid (CID 115340051) is 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)C2CNCCO2)cc1.
What is the InChIKey of 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid?
The InChIKey is MIIMNXVYIIVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(18)6-3-10-1-4-11(5-2-10)16-14(19)12-9-15-7-8-20-12/h1-2,4-5,12,15H,3,6-9H2,(H,16,19)(H,17,18).
What are the key properties of 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid?
3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 115340051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).