2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid

C16H24N2O3 — CID 103463206

IUPAC2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid
SMILESCCC(C)(C)CNC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-5-15(2,3)11-17-14(21)18-16(4,13(19)20)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyNZPFMILGJNIJOR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.72
Rot. Bonds6

About 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid

2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid (PubChem CID 103463206) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid
PubChem CID103463206
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid
SMILESCCC(C)(C)CNC(=O)NC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-5-15(2,3)11-17-14(21)18-16(4,13(19)20)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyNZPFMILGJNIJOR-UHFFFAOYSA-N
XLogP2.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dimethylamino)propylcarbamoylamino]-2-phenylpropanoic acid
CID 62488029
2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
CID 43457126
2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 43093716
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-phenylpropanoic acid
CID 62834631
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
CID 16786304
2-(hexanoylamino)-2-phenylpropanoic acid
CID 62487129
2-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984964
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid?
The IUPAC name of 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid (CID 103463206) is 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid?
The canonical SMILES for 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid is CCC(C)(C)CNC(=O)NC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid?
The InChIKey is NZPFMILGJNIJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-15(2,3)11-17-14(21)18-16(4,13(19)20)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid?
2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutylcarbamoylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 103463206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).