2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid

C15H22N2O3 — CID 65345591

IUPAC2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCC(C)C(C)N(C)C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)11(3)17(4)15(20)16-13-7-5-6-12(8-13)9-14(18)19/h5-8,10-11H,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyOWJHXHPZUJIONZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.82
Rot. Bonds5

About 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid

2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 65345591) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
PubChem CID65345591
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
SMILESCC(C)C(C)N(C)C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H22N2O3/c1-10(2)11(3)17(4)15(20)16-13-7-5-6-12(8-13)9-14(18)19/h5-8,10-11H,9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyOWJHXHPZUJIONZ-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 65349900
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(3-methylbutan-2-yl)urea
CID 61339685
2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345731
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
CID 79202787
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
2-[[3-(methoxymethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 62637949
2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345726

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid (CID 65345591) is 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid is CC(C)C(C)N(C)C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is OWJHXHPZUJIONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)11(3)17(4)15(20)16-13-7-5-6-12(8-13)9-14(18)19/h5-8,10-11H,9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid?
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 65345591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).