2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid

C15H22N2O3 — CID 62821086

IUPAC2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
SMILESCC(C)c1ccc(NC(=O)N(C)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)11-6-8-12(9-7-11)16-14(20)17(5)15(3,4)13(18)19/h6-10H,1-5H3,(H,16,20)(H,18,19)
InChIKeyVLTRVSHOHKIMIB-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid

2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid (PubChem CID 62821086) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
PubChem CID62821086
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
SMILESCC(C)c1ccc(NC(=O)N(C)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)11-6-8-12(9-7-11)16-14(20)17(5)15(3,4)13(18)19/h6-10H,1-5H3,(H,16,20)(H,18,19)
InChIKeyVLTRVSHOHKIMIB-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[methyl-[(4-methylsulfanylphenyl)carbamoyl]amino]propanoic acid
CID 62822129
2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820562
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 62820189
2-methyl-2-[methyl-[(4-methyl-3-nitrophenyl)carbamoyl]amino]propanoic acid
CID 62822499
3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61184948
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(2-methylbutan-2-yl)urea
CID 63962271
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
bis(3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea);bis(1,1-dimethyl-3-(4-propan-2-ylphenyl)urea)
CID 67903624
2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 61185121
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid (CID 62821086) is 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid is CC(C)c1ccc(NC(=O)N(C)C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
The InChIKey is VLTRVSHOHKIMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)11-6-8-12(9-7-11)16-14(20)17(5)15(3,4)13(18)19/h6-10H,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid?
2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62821086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).