4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid

C17H20N4O4 — CID 110153849

IUPAC4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)C1
InChIInChI=1S/C17H20N4O4/c22-15(1-2-16(23)24)20-10-17(25)5-8-21(11-17)14-4-7-19-13-3-6-18-9-12(13)14/h3-4,6-7,9,25H,1-2,5,8,10-11H2,(H,20,22)(H,23,24)
InChIKeyFAXWJUQTHCCHRV-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.55
Rot. Bonds6

About 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid

4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid (PubChem CID 110153849) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid
PubChem CID110153849
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)C1
InChIInChI=1S/C17H20N4O4/c22-15(1-2-16(23)24)20-10-17(25)5-8-21(11-17)14-4-7-19-13-3-6-18-9-12(13)14/h3-4,6-7,9,25H,1-2,5,8,10-11H2,(H,20,22)(H,23,24)
InChIKeyFAXWJUQTHCCHRV-UHFFFAOYSA-N
XLogP0.55
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide
CID 110153839
5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125017134
4-(aminomethyl)-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 125014600
2-[3-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylcarbamoyl]phenoxy]acetic acid
CID 124966436
4-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972772
4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972771
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 110153883
4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide
CID 155987963
3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide
CID 110154304
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]propanamide
CID 155989816
4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide
CID 110154305
4-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]-4-oxobutanoic acid
CID 124963417

Frequently Asked Questions

What is the IUPAC name of 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid (CID 110153849) is 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NCC1(O)CCN(c2ccnc3ccncc23)C1.
What is the InChIKey of 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid?
The InChIKey is FAXWJUQTHCCHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-15(1-2-16(23)24)20-10-17(25)5-8-21(11-17)14-4-7-19-13-3-6-18-9-12(13)14/h3-4,6-7,9,25H,1-2,5,8,10-11H2,(H,20,22)(H,23,24).
What are the key properties of 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid?
4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid has a molecular weight of 344.37 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 110153849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).