2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid

C15H23N3O3 — CID 65266580

IUPAC2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
SMILESCC(C)(NC(=O)NCCc1cccnc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-14(2,12(19)20)15(3,4)18-13(21)17-9-7-11-6-5-8-16-10-11/h5-6,8,10H,7,9H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyPGQRLYIUJWZMRH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.81
Rot. Bonds6

About 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid

2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid (PubChem CID 65266580) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
PubChem CID65266580
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
SMILESCC(C)(NC(=O)NCCc1cccnc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H23N3O3/c1-14(2,12(19)20)15(3,4)18-13(21)17-9-7-11-6-5-8-16-10-11/h5-6,8,10H,7,9H2,1-4H3,(H,19,20)(H2,17,18,21)
InChIKeyPGQRLYIUJWZMRH-UHFFFAOYSA-N
XLogP1.81
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3,3-dimethyl-2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204039
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
2-ethyl-2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]butanoic acid
CID 115430903
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204035
4-oxo-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 60914981
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60912742
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3720168

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid (CID 65266580) is 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid is CC(C)(NC(=O)NCCc1cccnc1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid?
The InChIKey is PGQRLYIUJWZMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-14(2,12(19)20)15(3,4)18-13(21)17-9-7-11-6-5-8-16-10-11/h5-6,8,10H,7,9H2,1-4H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid?
2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid has a molecular weight of 293.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 65266580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).