2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid

C17H24N4O4 — CID 135317929

IUPAC2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(O)CN(C(=O)NCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C17H24N4O4/c22-14(23)9-17(25)10-21(11-17)16(24)19-8-2-4-13-6-5-12-3-1-7-18-15(12)20-13/h5-6,25H,1-4,7-11H2,(H,18,20)(H,19,24)(H,22,23)
InChIKeyRMCTVAKPZVRRKU-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.60
Rot. Bonds6

About 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid

2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 135317929) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID135317929
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(O)CN(C(=O)NCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C17H24N4O4/c22-14(23)9-17(25)10-21(11-17)16(24)19-8-2-4-13-6-5-12-3-1-7-18-15(12)20-13/h5-6,25H,1-4,7-11H2,(H,18,20)(H,19,24)(H,22,23)
InChIKeyRMCTVAKPZVRRKU-UHFFFAOYSA-N
XLogP0.60
TPSA114.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid
CID 135318689
2-acetamido-2-[3-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-3-yl]acetic acid
CID 135317489
2-phenyl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperazin-1-yl]acetic acid
CID 135312593
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-[(3-acetamido-3-methylbutanoyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid
CID 142419156
2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]-2-(4-oxooctanoylamino)acetic acid
CID 157454894
2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
CID 135312433
5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide
CID 166295535
2-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)amino]-2-[4-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]acetic acid
CID 142419147
lithium;ethyl 2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetate;2-[4-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-4-yl]acetic acid;hydroxide;hydrate
CID 159024304
3-[[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoic acid
CID 142348303
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid (CID 135317929) is 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid is O=C(O)CC1(O)CN(C(=O)NCCCc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is RMCTVAKPZVRRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-14(23)9-17(25)10-21(11-17)16(24)19-8-2-4-13-6-5-12-3-1-7-18-15(12)20-13/h5-6,25H,1-4,7-11H2,(H,18,20)(H,19,24)(H,22,23).
What are the key properties of 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid?
2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 348.40 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 135317929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).