3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid

C16H24N2O3 — CID 62877970

IUPAC3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid
SMILESCCC(CC)N(C)C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-13(5-2)18(3)16(21)17-11-14(15(19)20)12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyGVGGIFYVBFDDCU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.68
Rot. Bonds7

About 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid

3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid (PubChem CID 62877970) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid
PubChem CID62877970
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid
SMILESCCC(CC)N(C)C(=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-4-13(5-2)18(3)16(21)17-11-14(15(19)20)12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyGVGGIFYVBFDDCU-UHFFFAOYSA-N
XLogP2.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878150
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
3-ethyl-1-methyl-1-(1-phenylbutan-2-yl)urea
CID 71994481
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
3-[[2-(butan-2-ylamino)acetyl]amino]-2-phenylpropanoic acid
CID 62884693
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
3-[[2-(diethylsulfamoyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254729
3-[3-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62878319
3-[(2-methylsulfanylacetyl)amino]-2-phenylpropanoic acid
CID 62883515
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid (CID 62877970) is 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid is CCC(CC)N(C)C(=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid?
The InChIKey is GVGGIFYVBFDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-13(5-2)18(3)16(21)17-11-14(15(19)20)12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid?
3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(pentan-3-yl)carbamoyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62877970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).