3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid

C15H22N2O3 — CID 107273983

IUPAC3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
SMILESCC(C)CN(C)C(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)10-17(3)15(20)16-13-7-5-4-6-12(13)8-9-14(18)19/h4-7,11H,8-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGDLYPZBJCQZRSG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.82
Rot. Bonds6

About 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid

3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid (PubChem CID 107273983) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
PubChem CID107273983
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
SMILESCC(C)CN(C)C(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)10-17(3)15(20)16-13-7-5-4-6-12(13)8-9-14(18)19/h4-7,11H,8-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyGDLYPZBJCQZRSG-UHFFFAOYSA-N
XLogP2.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273985
3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid
CID 107274126
3-[2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]propanoic acid
CID 107274078
2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid
CID 62536518
3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 107273577
3-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]propanoic acid
CID 107273592
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
3-[2-[(3-amino-4,4-dimethylpentanoyl)amino]phenyl]propanoic acid
CID 107273611
3-(2-fluorophenyl)-1-(2-hydroxypropyl)-1-methylurea
CID 62334084
5-hydroxy-2-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 61405805
3-[2-(cyclobutylcarbamoylamino)phenyl]propanoic acid
CID 107272559
2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
CID 55096880

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid (CID 107273983) is 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid is CC(C)CN(C)C(=O)Nc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid?
The InChIKey is GDLYPZBJCQZRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)10-17(3)15(20)16-13-7-5-4-6-12(13)8-9-14(18)19/h4-7,11H,8-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid?
3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 107273983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).