2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C13H18N2O5 — CID 70941534

IUPAC2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCc1ccc(=O)[nH]c1N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O5/c1-8-5-6-9(16)14-11(8)15(7-10(17)18)12(19)20-13(2,3)4/h5-6H,7H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyXWXQEGZGLHDIKV-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.51
Rot. Bonds3

About 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 70941534) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID70941534
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCc1ccc(=O)[nH]c1N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O5/c1-8-5-6-9(16)14-11(8)15(7-10(17)18)12(19)20-13(2,3)4/h5-6H,7H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyXWXQEGZGLHDIKV-UHFFFAOYSA-N
XLogP1.51
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39379328
2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39422832
2-[2,4,5-trichloro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
CID 70863837
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid;oxane
CID 70374539
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino]acetic acid
CID 69067890
2-[3-cyano-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
CID 22135068
2-[acetyl-[[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]amino]acetic acid
CID 158273995
CID 70026741
CID 70026741
2-[(2,4-difluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 176575788
2-[4,5-dichloro-N-[(2-methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)anilino]acetic acid
CID 70863760
2-[2-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]-6-nitroanilino]acetic acid
CID 67836353
4-[[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-methylbenzoic acid
CID 134181838

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 70941534) is 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is Cc1ccc(=O)[nH]c1N(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is XWXQEGZGLHDIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-8-5-6-9(16)14-11(8)15(7-10(17)18)12(19)20-13(2,3)4/h5-6H,7H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-6-oxo-1H-pyridin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 70941534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).