4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

C13H17N3O3 — CID 175530858

IUPAC4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2nccc(N[C@H]3CCOC3)c2C1
InChIInChI=1S/C13H17N3O3/c17-13(18)16-5-2-11-10(7-16)12(1-4-14-11)15-9-3-6-19-8-9/h1,4,9H,2-3,5-8H2,(H,14,15)(H,17,18)/t9-/m0/s1
InChIKeyOJJDUFDYLHJKIP-VIFPVBQESA-N
MW263.30 g/mol
LogP1.32
Rot. Bonds2

About 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (PubChem CID 175530858) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
PubChem CID175530858
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2nccc(N[C@H]3CCOC3)c2C1
InChIInChI=1S/C13H17N3O3/c17-13(18)16-5-2-11-10(7-16)12(1-4-14-11)15-9-3-6-19-8-9/h1,4,9H,2-3,5-8H2,(H,14,15)(H,17,18)/t9-/m0/s1
InChIKeyOJJDUFDYLHJKIP-VIFPVBQESA-N
XLogP1.32
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid with MolForge

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Related Compounds

8-[[(3R)-oxolan-3-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 175530777
(2,4-dihydroxy-6-phenylmethoxyphenyl)-[8-[[(3S)-oxolan-3-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166486068
(2,4-dihydroxy-6-phenylmethoxyphenyl)-[8-[[(3R)-oxolan-3-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166485945
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
3-bromo-4-(oxan-3-ylamino)benzoic acid
CID 82801534
4-chloro-2-(oxolan-3-ylamino)benzoic acid
CID 80716241
4-bromo-2-(oxolan-3-ylamino)benzoic acid
CID 114907458
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
3-(oxolan-3-ylamino)quinoxaline-2-carboxylic acid
CID 167830102
5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 167971128
(4-methyl-1,3-oxazol-5-yl)-[4-(oxan-3-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 56884367
[2-methyl-4-(oxan-3-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(1H-pyrrol-2-yl)methanone
CID 56903896

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The IUPAC name of 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (CID 175530858) is 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The canonical SMILES for 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is O=C(O)N1CCc2nccc(N[C@H]3CCOC3)c2C1.
What is the InChIKey of 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The InChIKey is OJJDUFDYLHJKIP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(18)16-5-2-11-10(7-16)12(1-4-14-11)15-9-3-6-19-8-9/h1,4,9H,2-3,5-8H2,(H,14,15)(H,17,18)/t9-/m0/s1.
What are the key properties of 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 175530858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).