[(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea

C13H18N2O3 — CID 157112408

IUPAC[(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea
SMILESCOC[C@@H](NC(N)=O)C(=O)CCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-18-9-11(15-13(14)17)12(16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H3,14,15,17)/t11-/m1/s1
InChIKeyXSEDBXGHCRXYGU-LLVKDONJSA-N
MW250.30 g/mol
LogP0.87
Rot. Bonds7

About [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea

[(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea (PubChem CID 157112408) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea
PubChem CID157112408
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea
SMILESCOC[C@@H](NC(N)=O)C(=O)CCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-18-9-11(15-13(14)17)12(16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H3,14,15,17)/t11-/m1/s1
InChIKeyXSEDBXGHCRXYGU-LLVKDONJSA-N
XLogP0.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
methyl 2-acetamido-3-oxo-5-phenylpentanoate
CID 19019941
N-[(2R)-1-hydroxy-3-oxo-5-phenylpentan-2-yl]acetamide
CID 146894661
methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate
CID 102464818
N-[(2S)-1-methoxy-3-methylbutan-2-yl]-3-phenylpropanamide
CID 56593002
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
2-[3-(3-aminophenyl)propanoylamino]-3-methoxypropanoic acid
CID 115341613
(2R,5S)-6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)-4-oxo-5-(3-phenylpropanoylamino)hexanamide
CID 158584949
3-amino-1-methoxy-7-phenylheptan-4-one
CID 116567219
methyl 3-oxo-2-(phenoxycarbonylamino)-5-phenylpentanoate
CID 139842659

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea?
The IUPAC name of [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea (CID 157112408) is [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea.
What is the SMILES notation for [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea?
The canonical SMILES for [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea is COC[C@@H](NC(N)=O)C(=O)CCc1ccccc1.
What is the InChIKey of [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea?
The InChIKey is XSEDBXGHCRXYGU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-9-11(15-13(14)17)12(16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H3,14,15,17)/t11-/m1/s1.
What are the key properties of [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea?
[(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea has a molecular weight of 250.30 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxy-3-oxo-5-phenylpentan-2-yl]urea is sourced from PubChem (CID 157112408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).