2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid

C13H17N3O5 — CID 156529146

IUPAC2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H17N3O5/c1-13(2,3)21-12(20)15-7-9(17)16-10-8(11(18)19)5-4-6-14-10/h4-6H,7H2,1-3H3,(H,15,20)(H,18,19)(H,14,16,17)
InChIKeyGWTHBOPTFIKAOO-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.24
Rot. Bonds4

About 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid

2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 156529146) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
PubChem CID156529146
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H17N3O5/c1-13(2,3)21-12(20)15-7-9(17)16-10-8(11(18)19)5-4-6-14-10/h4-6H,7H2,1-3H3,(H,15,20)(H,18,19)(H,14,16,17)
InChIKeyGWTHBOPTFIKAOO-UHFFFAOYSA-N
XLogP1.24
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]amino]pyridine-3-carboxylic acid
CID 70203259
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-pyridinyl]carbamate
CID 102540666
tert-butyl 4-[(3-carbamoyl-2-pyridinyl)amino]-4-oxobutanoate
CID 90044554
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
tert-butyl N-[2-oxo-2-(thieno[2,3-b]pyridin-3-ylamino)ethyl]carbamate
CID 15342494
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
CID 63651997
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
tert-butyl N-[4-[(2-methyl-3-pyridinyl)amino]-4-oxobutyl]carbamate
CID 79042869
tert-butyl N-[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]carbamate
CID 108916974
8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]quinoline-4-carboxylic acid
CID 156697397

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid (CID 156529146) is 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)NCC(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is GWTHBOPTFIKAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-13(2,3)21-12(20)15-7-9(17)16-10-8(11(18)19)5-4-6-14-10/h4-6H,7H2,1-3H3,(H,15,20)(H,18,19)(H,14,16,17).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid?
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 156529146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).