formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid

C21H32N4O6 — CID 135318689

IUPACformic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1(O)CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1.O=CO
InChIInChI=1S/C20H30N4O4.CH2O2/c25-17(26)14-20(28)8-12-24(13-9-20)19(27)22-10-2-1-5-16-7-6-15-4-3-11-21-18(15)23-16;2-1-3/h6-7,28H,1-5,8-14H2,(H,21,23)(H,22,27)(H,25,26);1H,(H,2,3)
InChIKeyGHINGNFVUWOWFA-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.47
Rot. Bonds7

About formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid

formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid (PubChem CID 135318689) has the molecular formula C21H32N4O6 and a molecular weight of 436.51 g/mol. Its IUPAC name is formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Nameformic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid
PubChem CID135318689
Molecular FormulaC21H32N4O6
Molecular Weight436.51 g/mol
Exact Mass436.23
IUPAC Nameformic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1(O)CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1.O=CO
InChIInChI=1S/C20H30N4O4.CH2O2/c25-17(26)14-20(28)8-12-24(13-9-20)19(27)22-10-2-1-5-16-7-6-15-4-3-11-21-18(15)23-16;2-1-3/h6-7,28H,1-5,8-14H2,(H,21,23)(H,22,27)(H,25,26);1H,(H,2,3)
InChIKeyGHINGNFVUWOWFA-UHFFFAOYSA-N
XLogP1.47
TPSA152.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 135317929
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
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
2-phenyl-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperazin-1-yl]acetic acid
CID 135312593
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-[(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
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
(Z)-2-[4-methoxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-4-yl]-6,9-dioxo-9-(propylamino)non-2-enoic acid
CID 142419207
2-[2-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid
CID 23558815
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
CID 135312433

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 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) is formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid is O=C(O)CC1(O)CCN(C(=O)NCCCCc2ccc3c(n2)NCCC3)CC1.O=CO.
What is the InChIKey of formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is GHINGNFVUWOWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4.CH2O2/c25-17(26)14-20(28)8-12-24(13-9-20)19(27)22-10-2-1-5-16-7-6-15-4-3-11-21-18(15)23-16;2-1-3/h6-7,28H,1-5,8-14H2,(H,21,23)(H,22,27)(H,25,26);1H,(H,2,3).
What are the key properties of formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid?
formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 436.51 g/mol, XLogP of 1.47, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[4-hydroxy-1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 135318689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).