2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid

C15H22N2O3 — CID 80555855

IUPAC2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
SMILESCC(C)CNC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)9-16-14(20)17-12-7-5-11(6-8-12)15(3,4)13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyKGTNLZIYIARVSJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid

2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid (PubChem CID 80555855) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
PubChem CID80555855
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
SMILESCC(C)CNC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)9-16-14(20)17-12-7-5-11(6-8-12)15(3,4)13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyKGTNLZIYIARVSJ-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
2-methyl-2-[4-(prop-2-ynylcarbamoylamino)phenyl]propanoic acid
CID 80555782
2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80549262
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid
CID 104903758
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
N-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47200661
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
2-[4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80548980
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
2-methyl-2-[4-(2,3,3-trimethylbutanoylamino)phenyl]propanoic acid
CID 120688065
2-[4-[[2-hydroxypropyl(methyl)carbamoyl]amino]phenyl]-2-methylpropanoic acid
CID 80549715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid (CID 80555855) is 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid is CC(C)CNC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid?
The InChIKey is KGTNLZIYIARVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)9-16-14(20)17-12-7-5-11(6-8-12)15(3,4)13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid?
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 80555855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).