3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid

C17H26N2O4 — CID 106488818

IUPAC3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid
SMILESCC(C)C(CNC(=O)OC(C)(C)C)(Cc1ccccn1)C(=O)O
InChIInChI=1S/C17H26N2O4/c1-12(2)17(14(20)21,10-13-8-6-7-9-18-13)11-19-15(22)23-16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyGULAARXVQXXXDL-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.88
Rot. Bonds6

About 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid

3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid (PubChem CID 106488818) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid
PubChem CID106488818
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid
SMILESCC(C)C(CNC(=O)OC(C)(C)C)(Cc1ccccn1)C(=O)O
InChIInChI=1S/C17H26N2O4/c1-12(2)17(14(20)21,10-13-8-6-7-9-18-13)11-19-15(22)23-16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyGULAARXVQXXXDL-UHFFFAOYSA-N
XLogP2.88
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid with MolForge

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Related Compounds

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(pyridin-2-ylmethylsulfanyl)propanoic acid
CID 66972690
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
tert-butyl N-[3-oxo-3-(pyridin-2-ylmethoxyamino)propyl]carbamate
CID 154760878
5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid
CID 106488758
5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid
CID 106488766
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
tert-butyl N-[2-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 103753218
tert-butyl N-[2-[4-(pyridin-2-ylmethylamino)phenyl]ethyl]carbamate
CID 173054324
tert-butyl N-[2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 110971226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid?
The IUPAC name of 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid (CID 106488818) is 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid?
The canonical SMILES for 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid is CC(C)C(CNC(=O)OC(C)(C)C)(Cc1ccccn1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid?
The InChIKey is GULAARXVQXXXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(2)17(14(20)21,10-13-8-6-7-9-18-13)11-19-15(22)23-16(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid?
3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid has a molecular weight of 322.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(pyridin-2-ylmethyl)butanoic acid is sourced from PubChem (CID 106488818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).