2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid

C12H16N2O4 — CID 75525935

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1ncccc1CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-10-8(7-9(15)16)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyOHWUZICWFKKKBA-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.06
Rot. Bonds3

About 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid (PubChem CID 75525935) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid
PubChem CID75525935
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1ncccc1CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-10-8(7-9(15)16)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyOHWUZICWFKKKBA-UHFFFAOYSA-N
XLogP2.06
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Methylpyridin-2-ylcarbamoyl)butyric acid
CID 572788
2-(N-Boc-Amino)-3-methylpyridine
CID 11745848
(6-Aminopyridin-3-yl)acetic acid
CID 12562075
tert-butyl N-(4-methylpyridin-2-yl)carbamate
CID 11063648
2-(5,5-dimethyl-2-oxooxolan-3-yl)-N-pyridin-2-ylacetamide
CID 2938756
2-{[(Tert-butoxy)carbonyl]amino}pyridine-3-carboxylic acid
CID 20623655
2-(((Tert-butoxy)carbonyl)amino)pyridine-4-carboxylic acid
CID 22271474
2-(Boc-amino)-4-(hydroxymethyl)pyridine
CID 23151001
2-Amino-3-pyridineacetic acid
CID 14739552
3-[2-(Diethylamino)-4-pyridyl]propanoic acid
CID 90487991
6-((tert-Butoxycarbonyl)amino)pyridine-3-carboxylic acid
CID 20623926
2-(((Tert-butoxy)carbonyl)amino)-2-(pyridin-3-yl)acetic acid
CID 24729664

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid (CID 75525935) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid is CC(C)(C)OC(=O)Nc1ncccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid?
The InChIKey is OHWUZICWFKKKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-10-8(7-9(15)16)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,15,16)(H,13,14,17).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]acetic acid is sourced from PubChem (CID 75525935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).