(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid

C17H22N2O5 — CID 129467997

IUPAC(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
SMILESO=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C17H22N2O5/c20-16(19-15(17(21)22)12-3-2-8-23-10-12)11-6-7-18-14(9-11)24-13-4-1-5-13/h6-7,9,12-13,15H,1-5,8,10H2,(H,19,20)(H,21,22)/t12-,15+/m1/s1
InChIKeyOSBDJTKYZSDVIO-DOMZBBRYSA-N
MW334.37 g/mol
LogP1.62
Rot. Bonds6

About (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid

(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid (PubChem CID 129467997) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
PubChem CID129467997
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
SMILESO=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1ccnc(OC2CCC2)c1
InChIInChI=1S/C17H22N2O5/c20-16(19-15(17(21)22)12-3-2-8-23-10-12)11-6-7-18-14(9-11)24-13-4-1-5-13/h6-7,9,12-13,15H,1-5,8,10H2,(H,19,20)(H,21,22)/t12-,15+/m1/s1
InChIKeyOSBDJTKYZSDVIO-DOMZBBRYSA-N
XLogP1.62
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-3-yl)-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
CID 120548662
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
2-[(3,4-diethoxybenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547637
2-[(6-methoxypyridine-3-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547837
3-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522196
(2R)-2-[(4-cyclobutylbenzoyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469945
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
2-(1-benzothiophene-5-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548414

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid?
The IUPAC name of (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid (CID 129467997) is (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid.
What is the SMILES notation for (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid?
The canonical SMILES for (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid is O=C(N[C@H](C(=O)O)[C@@H]1CCCOC1)c1ccnc(OC2CCC2)c1.
What is the InChIKey of (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid?
The InChIKey is OSBDJTKYZSDVIO-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-16(19-15(17(21)22)12-3-2-8-23-10-12)11-6-7-18-14(9-11)24-13-4-1-5-13/h6-7,9,12-13,15H,1-5,8,10H2,(H,19,20)(H,21,22)/t12-,15+/m1/s1.
What are the key properties of (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid?
(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid has a molecular weight of 334.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid is sourced from PubChem (CID 129467997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).