2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid

C14H17NO4 — CID 19790783

IUPAC2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid
SMILESO=C(O)C(Cc1ccccc1)C(=O)C1CNCCO1
InChIInChI=1S/C14H17NO4/c16-13(12-9-15-6-7-19-12)11(14(17)18)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,17,18)
InChIKeyYDCUDPFLKSJOHC-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.49
Rot. Bonds5

About 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid

2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid (PubChem CID 19790783) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid.

Molecular Properties

Compound Name2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid
PubChem CID19790783
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid
SMILESO=C(O)C(Cc1ccccc1)C(=O)C1CNCCO1
InChIInChI=1S/C14H17NO4/c16-13(12-9-15-6-7-19-12)11(14(17)18)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,17,18)
InChIKeyYDCUDPFLKSJOHC-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-morpholin-2-yl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 70064876
N-(2,3-diphenylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119803971
N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 119688848
2-amino-3-phenylpropanoic acid;morpholin-2-amine;2,2,2-trifluoroacetic acid
CID 174337618
N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119807977
3-(4-methylphenyl)-2-[2-[1-(4-methylphenyl)ethylamino]anilino]-1-morpholin-2-ylpropan-1-one
CID 175079955
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533
(2-methylphenyl)-morpholin-2-ylmethanone
CID 84673271
N-[(2S)-1-[4-(1,2-diamino-4-phenylbutyl)sulfonylphenyl]-1-oxo-3-phenylpropan-2-yl]morpholine-2-carboxamide
CID 70290303
N-[2-[benzyl(methyl)amino]propyl]morpholine-2-carboxamide
CID 119885731
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
morpholin-2-yl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698790

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid?
The IUPAC name of 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid (CID 19790783) is 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid.
What is the SMILES notation for 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid?
The canonical SMILES for 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid is O=C(O)C(Cc1ccccc1)C(=O)C1CNCCO1.
What is the InChIKey of 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid?
The InChIKey is YDCUDPFLKSJOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(12-9-15-6-7-19-12)11(14(17)18)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,17,18).
What are the key properties of 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid?
2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid has a molecular weight of 263.29 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid is sourced from PubChem (CID 19790783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).