2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid

C14H18N2O5 — CID 120547837

IUPAC2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCOc1ccc(C(=O)NC(C(=O)O)C2CCCOC2)cn1
InChIInChI=1S/C14H18N2O5/c1-20-11-5-4-9(7-15-11)13(17)16-12(14(18)19)10-3-2-6-21-8-10/h4-5,7,10,12H,2-3,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyXCEBTPLHONSQRR-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.70
Rot. Bonds5

About 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid

2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547837) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547837
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCOc1ccc(C(=O)NC(C(=O)O)C2CCCOC2)cn1
InChIInChI=1S/C14H18N2O5/c1-20-11-5-4-9(7-15-11)13(17)16-12(14(18)19)10-3-2-6-21-8-10/h4-5,7,10,12H,2-3,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyXCEBTPLHONSQRR-UHFFFAOYSA-N
XLogP0.70
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,4-diethoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547637
2-[[4-(2-methylpropoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549072
2-[(4-butoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547412
2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547769
(2R)-2-[(4-cyclobutylbenzoyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469945
(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467997
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-[(4-cyclohexylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548745
2-(oxan-3-yl)-2-[[4-(phenoxymethyl)benzoyl]amino]acetic acid
CID 120547420
2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547937
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid (CID 120547837) is 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid is COc1ccc(C(=O)NC(C(=O)O)C2CCCOC2)cn1.
What is the InChIKey of 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is XCEBTPLHONSQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-11-5-4-9(7-15-11)13(17)16-12(14(18)19)10-3-2-6-21-8-10/h4-5,7,10,12H,2-3,6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).