2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid

C15H21NO3 — CID 114199869

IUPAC2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
SMILESCCC(C)(CC)NC(=O)c1ccccc1CC(=O)O
InChIInChI=1S/C15H21NO3/c1-4-15(3,5-2)16-14(19)12-9-7-6-8-11(12)10-13(17)18/h6-9H,4-5,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyBIZUFYMNIWOCDY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid

2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid (PubChem CID 114199869) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
PubChem CID114199869
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid
SMILESCCC(C)(CC)NC(=O)c1ccccc1CC(=O)O
InChIInChI=1S/C15H21NO3/c1-4-15(3,5-2)16-14(19)12-9-7-6-8-11(12)10-13(17)18/h6-9H,4-5,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyBIZUFYMNIWOCDY-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
3-amino-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 114174076
2-amino-3-methyl-N-(3-methylpentan-3-yl)benzamide
CID 114174059
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
2-(bromomethyl)-N-tert-butylbenzamide
CID 82110404
N-[3-(chloromethyl)pentan-3-yl]-2-ethylbenzamide
CID 114304484
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbenzamide
CID 113275780
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232
N-(1-hydroxy-2-methylbutan-2-yl)-2-nitrobenzamide
CID 64557384

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid (CID 114199869) is 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid is CCC(C)(CC)NC(=O)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid?
The InChIKey is BIZUFYMNIWOCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-15(3,5-2)16-14(19)12-9-7-6-8-11(12)10-13(17)18/h6-9H,4-5,10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid?
2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpentan-3-ylcarbamoyl)phenyl]acetic acid is sourced from PubChem (CID 114199869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).