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

C14H20N2O3 — CID 28510886

IUPAC3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCc1cccc(C(C)C)c1NC(=O)NCCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)11-6-4-5-10(3)13(11)16-14(19)15-8-7-12(17)18/h4-6,9H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyUKTWFVLDQNTFNQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.71
Rot. Bonds5

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

3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid (PubChem CID 28510886) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
PubChem CID28510886
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCc1cccc(C(C)C)c1NC(=O)NCCC(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)11-6-4-5-10(3)13(11)16-14(19)15-8-7-12(17)18/h4-6,9H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyUKTWFVLDQNTFNQ-UHFFFAOYSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-methylphenyl)-3-oxopropyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108874433
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
CID 108888749
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
2-methoxy-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 106109616
4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
CID 64895201
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-[methyl-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 43135784
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
3-[[(Z)-2-cyano-3-(2-methyl-6-propan-2-ylanilino)prop-2-enoyl]amino]propanoic acid
CID 108817558

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid (CID 28510886) is 3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid is Cc1cccc(C(C)C)c1NC(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The InChIKey is UKTWFVLDQNTFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)11-6-4-5-10(3)13(11)16-14(19)15-8-7-12(17)18/h4-6,9H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid?
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 28510886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).