3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid

C16H22N2O4 — CID 14213088

IUPAC3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid
SMILESCC(C)(c1ccccc1)C(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-16(2,12-6-4-3-5-7-12)13(14(19)20)17-15(21)18-8-10-22-11-9-18/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQCFZOQXMIBPMJY-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.46
Rot. Bonds4

About 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid

3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid (PubChem CID 14213088) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid.

Molecular Properties

Compound Name3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid
PubChem CID14213088
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid
SMILESCC(C)(c1ccccc1)C(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-16(2,12-6-4-3-5-7-12)13(14(19)20)17-15(21)18-8-10-22-11-9-18/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQCFZOQXMIBPMJY-UHFFFAOYSA-N
XLogP1.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-(1,4-oxazepane-4-carbonylamino)butanoic acid
CID 62967808
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
2-(1,4-oxazepane-4-carbonylamino)-2-phenylacetic acid
CID 62968862
(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one
CID 126609472
2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile
CID 14076583
(2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid
CID 70065737
N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide
CID 2831270
1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886974
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid?
The IUPAC name of 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid (CID 14213088) is 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid.
What is the SMILES notation for 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid?
The canonical SMILES for 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid is CC(C)(c1ccccc1)C(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid?
The InChIKey is QCFZOQXMIBPMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-16(2,12-6-4-3-5-7-12)13(14(19)20)17-15(21)18-8-10-22-11-9-18/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid?
3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid has a molecular weight of 306.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid is sourced from PubChem (CID 14213088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).