2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid

C13H18N2O3 — CID 62535532

IUPAC2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid
SMILESCC(C)(C)NC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)15-12(18)14-10-7-5-4-6-9(10)8-11(16)17/h4-7H,8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyAMBKUAADSUKRTR-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.23
Rot. Bonds3

About 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid

2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid (PubChem CID 62535532) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid
PubChem CID62535532
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid
SMILESCC(C)(C)NC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)15-12(18)14-10-7-5-4-6-9(10)8-11(16)17/h4-7H,8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyAMBKUAADSUKRTR-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[2-(ethylaminomethyl)phenyl]urea
CID 43602424
2-[2-(tert-butylamino)phenyl]acetic acid
CID 22714206
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
4-[2-(tert-butylcarbamoylamino)phenoxy]butanoic acid
CID 89492843
2-[2-[(2-tert-butylsulfanylacetyl)amino]phenyl]acetic acid
CID 62536483
2-[(2-ethylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61189710
2-[2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]phenyl]acetic acid
CID 62536151
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9303583
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
2-[2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]phenyl]acetic acid
CID 115432487
2-[2-[3-(methylamino)propanoylamino]phenyl]acetic acid
CID 62536315

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid (CID 62535532) is 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid is CC(C)(C)NC(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid?
The InChIKey is AMBKUAADSUKRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)15-12(18)14-10-7-5-4-6-9(10)8-11(16)17/h4-7H,8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid?
2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 62535532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).