2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid

C15H22N2O3 — CID 62670099

IUPAC2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCc1cccc(C(C)C)c1NC(=O)NCC(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-9(2)12-7-5-6-10(3)13(12)17-15(20)16-8-11(4)14(18)19/h5-7,9,11H,8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyFOAMUKAHXFUCSA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.96
Rot. Bonds5

About 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid

2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid (PubChem CID 62670099) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
PubChem CID62670099
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCc1cccc(C(C)C)c1NC(=O)NCC(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-9(2)12-7-5-6-10(3)13(12)17-15(20)16-8-11(4)14(18)19/h5-7,9,11H,8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyFOAMUKAHXFUCSA-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 106109616
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
CID 108888749
(2S)-4-hydroxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 107825731
3-methoxy-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 81085361
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495
1-(2-methyl-6-propan-2-ylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215098
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75691217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid (CID 62670099) is 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid is Cc1cccc(C(C)C)c1NC(=O)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The InChIKey is FOAMUKAHXFUCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)12-7-5-6-10(3)13(12)17-15(20)16-8-11(4)14(18)19/h5-7,9,11H,8H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 62670099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).