2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid

C15H22N2O4 — CID 79791702

IUPAC2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)Nc1ccc(OC(C)C)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-15(4,13(18)19)17-14(20)16-11-6-8-12(9-7-11)21-10(2)3/h6-10H,5H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyFPRNVPJOUGHTEV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.85
Rot. Bonds6

About 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid

2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid (PubChem CID 79791702) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
PubChem CID79791702
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
SMILESCCC(C)(NC(=O)Nc1ccc(OC(C)C)cc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-15(4,13(18)19)17-14(20)16-11-6-8-12(9-7-11)21-10(2)3/h6-10H,5H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyFPRNVPJOUGHTEV-UHFFFAOYSA-N
XLogP2.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798274
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61182733
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea
CID 113216348
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79801294
2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
CID 43146435
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
2-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
CID 79792256

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid (CID 79791702) is 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid is CCC(C)(NC(=O)Nc1ccc(OC(C)C)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
The InChIKey is FPRNVPJOUGHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-15(4,13(18)19)17-14(20)16-11-6-8-12(9-7-11)21-10(2)3/h6-10H,5H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid?
2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 79791702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).