2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid

C14H20N2O3 — CID 62669376

IUPAC2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)Nc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)11-4-6-12(7-5-11)16-14(19)15-8-10(3)13(17)18/h4-7,9-10H,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyGETRHHFAQUJHPW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.65
Rot. Bonds5

About 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid

2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid (PubChem CID 62669376) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
PubChem CID62669376
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)Nc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)11-4-6-12(7-5-11)16-14(19)15-8-10(3)13(17)18/h4-7,9-10H,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyGETRHHFAQUJHPW-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
3-[[4-(dimethylamino)phenyl]carbamoylamino]-2-methylpropanoic acid
CID 62670467
3-[[4-(diethylamino)phenyl]carbamoylamino]-2-methylpropanoic acid
CID 63180167
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135
2-methyl-3-[(4-pyrrolidin-1-ylphenyl)carbamoylamino]propanoic acid
CID 63179912
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 104780150
3-[(3-fluoro-4-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62668647
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(4-chlorophenyl)urea
CID 55102669
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
3-[(4-methoxy-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62669032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid (CID 62669376) is 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid is CC(CNC(=O)Nc1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The InChIKey is GETRHHFAQUJHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)11-4-6-12(7-5-11)16-14(19)15-8-10(3)13(17)18/h4-7,9-10H,8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid?
2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 62669376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).