2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid

C14H18N2O4 — CID 81317493

IUPAC2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)C1COCCN1
InChIInChI=1S/C14H18N2O4/c17-13(18)7-10-3-1-2-4-11(10)8-16-14(19)12-9-20-6-5-15-12/h1-4,12,15H,5-9H2,(H,16,19)(H,17,18)
InChIKeyRIROEOUIKRMOQZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.08
Rot. Bonds5

About 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid

2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid (PubChem CID 81317493) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
PubChem CID81317493
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)C1COCCN1
InChIInChI=1S/C14H18N2O4/c17-13(18)7-10-3-1-2-4-11(10)8-16-14(19)12-9-20-6-5-15-12/h1-4,12,15H,5-9H2,(H,16,19)(H,17,18)
InChIKeyRIROEOUIKRMOQZ-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
CID 119853743
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865
(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
CID 124682602
N-(furan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119958152
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812800
N-[1-(benzylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119750954
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
CID 119816482
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119691735

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid (CID 81317493) is 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNC(=O)C1COCCN1.
What is the InChIKey of 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid?
The InChIKey is RIROEOUIKRMOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(18)7-10-3-1-2-4-11(10)8-16-14(19)12-9-20-6-5-15-12/h1-4,12,15H,5-9H2,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid?
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 81317493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).