5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid

C19H24N4O4 — CID 125017134

IUPAC5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid
SMILESCc1cc(N2CC[C@](O)(CNC(=O)CCCC(=O)O)C2)c2cnccc2n1
InChIInChI=1S/C19H24N4O4/c1-13-9-16(14-10-20-7-5-15(14)22-13)23-8-6-19(27,12-23)11-21-17(24)3-2-4-18(25)26/h5,7,9-10,27H,2-4,6,8,11-12H2,1H3,(H,21,24)(H,25,26)/t19-/m0/s1
InChIKeyXFGSEOBMIDXMKW-IBGZPJMESA-N
MW372.43 g/mol
LogP1.25
Rot. Bonds7

About 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid

5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid (PubChem CID 125017134) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid
PubChem CID125017134
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid
SMILESCc1cc(N2CC[C@](O)(CNC(=O)CCCC(=O)O)C2)c2cnccc2n1
InChIInChI=1S/C19H24N4O4/c1-13-9-16(14-10-20-7-5-15(14)22-13)23-8-6-19(27,12-23)11-21-17(24)3-2-4-18(25)26/h5,7,9-10,27H,2-4,6,8,11-12H2,1H3,(H,21,24)(H,25,26)/t19-/m0/s1
InChIKeyXFGSEOBMIDXMKW-IBGZPJMESA-N
XLogP1.25
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide
CID 110154305
3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide
CID 110154304
4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid
CID 110153849
4-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124943896
4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide
CID 110153839
2-[1-[2-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 124940127
3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
CID 125026317
4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 124994678
4-(2-aminoethoxy)-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110154270
5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
CID 110153845
4-(aminomethyl)-N-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide
CID 110154607
N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110163496

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid (CID 125017134) is 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid is Cc1cc(N2CC[C@](O)(CNC(=O)CCCC(=O)O)C2)c2cnccc2n1.
What is the InChIKey of 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid?
The InChIKey is XFGSEOBMIDXMKW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13-9-16(14-10-20-7-5-15(14)22-13)23-8-6-19(27,12-23)11-21-17(24)3-2-4-18(25)26/h5,7,9-10,27H,2-4,6,8,11-12H2,1H3,(H,21,24)(H,25,26)/t19-/m0/s1.
What are the key properties of 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid?
5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid has a molecular weight of 372.43 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 125017134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).