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

C16H24N2O3 — CID 107273985

IUPAC3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
SMILESCCN(CC(C)C)C(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-18(11-12(2)3)16(21)17-14-8-6-5-7-13(14)9-10-15(19)20/h5-8,12H,4,9-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBSLJWDHHEKPKPB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.21
Rot. Bonds7

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

3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid (PubChem CID 107273985) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
PubChem CID107273985
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
SMILESCCN(CC(C)C)C(=O)Nc1ccccc1CCC(=O)O
InChIInChI=1S/C16H24N2O3/c1-4-18(11-12(2)3)16(21)17-14-8-6-5-7-13(14)9-10-15(19)20/h5-8,12H,4,9-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBSLJWDHHEKPKPB-UHFFFAOYSA-N
XLogP3.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[[methyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid
CID 107273983
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204
3-[2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]phenyl]propanoic acid
CID 107274078
3-[ethyl-[[2-(methylaminomethyl)phenyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62852293
3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid
CID 107274126
3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61181082
3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 107273577
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
CID 47258185
3-[(2-bromophenyl)carbamoyl-ethylamino]propanoic acid
CID 61190821
3-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]propanoic acid
CID 107273592

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid (CID 107273985) is 3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid is CCN(CC(C)C)C(=O)Nc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid?
The InChIKey is BSLJWDHHEKPKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18(11-12(2)3)16(21)17-14-8-6-5-7-13(14)9-10-15(19)20/h5-8,12H,4,9-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid?
3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[ethyl(2-methylpropyl)carbamoyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 107273985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).