2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid

C16H17N3O5 — CID 133268188

IUPAC2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1CCOC[C@@H]1NC(=O)c1ccc2cccnc2n1
InChIInChI=1S/C16H17N3O5/c20-14(21)9-24-13-5-7-23-8-12(13)19-16(22)11-4-3-10-2-1-6-17-15(10)18-11/h1-4,6,12-13H,5,7-9H2,(H,19,22)(H,20,21)/t12-,13+/m0/s1
InChIKeyHJJNMPAEYGTZFG-QWHCGFSZSA-N
MW331.33 g/mol
LogP0.62
Rot. Bonds5

About 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid

2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid (PubChem CID 133268188) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid
PubChem CID133268188
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid
SMILESO=C(O)CO[C@@H]1CCOC[C@@H]1NC(=O)c1ccc2cccnc2n1
InChIInChI=1S/C16H17N3O5/c20-14(21)9-24-13-5-7-23-8-12(13)19-16(22)11-4-3-10-2-1-6-17-15(10)18-11/h1-4,6,12-13H,5,7-9H2,(H,19,22)(H,20,21)/t12-,13+/m0/s1
InChIKeyHJJNMPAEYGTZFG-QWHCGFSZSA-N
XLogP0.62
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S,4R)-3-[(2-cyclopropylpyrimidine-5-carbonyl)amino]oxan-4-yl]oxyacetic acid
CID 133266293
2-[(3S,4R)-4-[(2-propan-2-ylpyrimidine-4-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91784846
N-cyclobutyl-1,8-naphthyridine-2-carboxamide
CID 177046765
2-[(3S,4R)-4-[(2-ethoxypyridine-3-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91783970
2-[(3R,4S)-3-(4-phenoxybutanoylamino)oxan-4-yl]oxyacetic acid
CID 91788296
2-[(3R,4S)-3-[(2,3-dimethoxybenzoyl)amino]oxan-4-yl]oxyacetic acid
CID 91780909
2-[(3R,4S)-3-[(5-propan-2-ylthiophene-3-carbonyl)amino]oxan-4-yl]oxyacetic acid
CID 91776873
2-[(3R,4S)-3-[(2-chloro-4,5-difluorobenzoyl)amino]oxan-4-yl]oxyacetic acid
CID 91779623
2-[(3R,4S)-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 91771663
2-[(3S,4R)-3-[[2-(1,3-thiazol-4-yl)acetyl]amino]oxan-4-yl]oxyacetic acid
CID 133268723
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 91763615

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid?
The IUPAC name of 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid (CID 133268188) is 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid?
The canonical SMILES for 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid is O=C(O)CO[C@@H]1CCOC[C@@H]1NC(=O)c1ccc2cccnc2n1.
What is the InChIKey of 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid?
The InChIKey is HJJNMPAEYGTZFG-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-14(21)9-24-13-5-7-23-8-12(13)19-16(22)11-4-3-10-2-1-6-17-15(10)18-11/h1-4,6,12-13H,5,7-9H2,(H,19,22)(H,20,21)/t12-,13+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid?
2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid has a molecular weight of 331.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-(1,8-naphthyridine-2-carbonylamino)oxan-4-yl]oxyacetic acid is sourced from PubChem (CID 133268188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).