(2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid

C17H24N2O5 — CID 129468313

IUPAC(2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
SMILESCC(C)Cc1cc(C(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)cc(=O)[nH]1
InChIInChI=1S/C17H24N2O5/c1-10(2)6-13-7-12(8-14(20)18-13)16(21)19-15(17(22)23)11-4-3-5-24-9-11/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t11-,15-/m1/s1
InChIKeyWPSLTZSINYZLSB-IAQYHMDHSA-N
MW336.39 g/mol
LogP1.18
Rot. Bonds6

About (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid

(2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid (PubChem CID 129468313) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
PubChem CID129468313
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
SMILESCC(C)Cc1cc(C(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)cc(=O)[nH]1
InChIInChI=1S/C17H24N2O5/c1-10(2)6-13-7-12(8-14(20)18-13)16(21)19-15(17(22)23)11-4-3-5-24-9-11/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t11-,15-/m1/s1
InChIKeyWPSLTZSINYZLSB-IAQYHMDHSA-N
XLogP1.18
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid with MolForge

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Related Compounds

2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547967
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[[4-(2-methylpropoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549072
2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547872
2-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548532
2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid
CID 120547561
2-[(3,4-diethoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547637
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
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221
2-[(4-butoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547412

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid?
The IUPAC name of (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid (CID 129468313) is (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid.
What is the SMILES notation for (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid?
The canonical SMILES for (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid is CC(C)Cc1cc(C(=O)N[C@@H](C(=O)O)[C@@H]2CCCOC2)cc(=O)[nH]1.
What is the InChIKey of (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid?
The InChIKey is WPSLTZSINYZLSB-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-10(2)6-13-7-12(8-14(20)18-13)16(21)19-15(17(22)23)11-4-3-5-24-9-11/h7-8,10-11,15H,3-6,9H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t11-,15-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid?
(2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid is sourced from PubChem (CID 129468313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).