3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid

C15H22N2O3 — CID 110490526

IUPAC3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
SMILESCC(C)C(NC(=O)NC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)12(13(18)19)16-14(20)17-15(3,4)11-8-6-5-7-9-11/h5-10,12H,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyOXRBLSBROJAWSZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.33
Rot. Bonds5

About 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid

3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid (PubChem CID 110490526) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
PubChem CID110490526
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
SMILESCC(C)C(NC(=O)NC(C)(C)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-10(2)12(13(18)19)16-14(20)17-15(3,4)11-8-6-5-7-9-11/h5-10,12H,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyOXRBLSBROJAWSZ-UHFFFAOYSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
(2R)-2-[(2,2-difluoro-2-phenylacetyl)amino]-3-methylbutanoic acid
CID 119369647
2-phenylpropan-2-ylcarbamic acid
CID 23445609
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
(2S)-2-hydroxy-3-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 114264145
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833
3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid
CID 5149828
3-methyl-2-(2-phenylpropylcarbamoylamino)butanoic acid
CID 103994310
2-methyl-N-[2-[3-[2-(propan-2-ylcarbamoylamino)propan-2-yl]phenyl]propan-2-yl]propanamide
CID 129087089
methyl 2-(2-phenylpropan-2-ylcarbamoylamino)acetate
CID 110490508
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid (CID 110490526) is 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid is CC(C)C(NC(=O)NC(C)(C)c1ccccc1)C(=O)O.
What is the InChIKey of 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is OXRBLSBROJAWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)12(13(18)19)16-14(20)17-15(3,4)11-8-6-5-7-9-11/h5-10,12H,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid?
3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 110490526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).