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

C15H22N2O3 — CID 43089477

IUPAC2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
SMILESCC(C)c1ccc(CNC(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)12-7-5-11(6-8-12)9-16-14(20)17-15(3,4)13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyHIYPMRYABCHGFJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.47
Rot. Bonds5

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

2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid (PubChem CID 43089477) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
PubChem CID43089477
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
SMILESCC(C)c1ccc(CNC(=O)NC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)12-7-5-11(6-8-12)9-16-14(20)17-15(3,4)13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyHIYPMRYABCHGFJ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
CID 115428681
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 79811205
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
2-[(2-methylpropan-2-yl)oxy]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112605367
4-oxo-4-[(4-propan-2-ylphenyl)methylamino]but-2-enoic acid
CID 76927345
4-[[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]methyl]benzoic acid
CID 108880613
2-[(4-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 16788213
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid (CID 43089477) is 2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid is CC(C)c1ccc(CNC(=O)NC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid?
The InChIKey is HIYPMRYABCHGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)12-7-5-11(6-8-12)9-16-14(20)17-15(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-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid?
2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.47, 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-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 43089477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).