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

C18H26N4O3 — CID 135312433

IUPAC2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC[C@@H](C(=O)NCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C18H26N4O3/c23-16(24)12-22-10-7-14(11-22)18(25)20-9-2-4-15-6-5-13-3-1-8-19-17(13)21-15/h5-6,14H,1-4,7-12H2,(H,19,21)(H,20,25)(H,23,24)/t14-/m1/s1
InChIKeyLYZDZHACNOOVPJ-CQSZACIVSA-N
MW346.43 g/mol
LogP0.89
Rot. Bonds7

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

2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid (PubChem CID 135312433) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
PubChem CID135312433
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CC[C@@H](C(=O)NCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C18H26N4O3/c23-16(24)12-22-10-7-14(11-22)18(25)20-9-2-4-15-6-5-13-3-1-8-19-17(13)21-15/h5-6,14H,1-4,7-12H2,(H,19,21)(H,20,25)(H,23,24)/t14-/m1/s1
InChIKeyLYZDZHACNOOVPJ-CQSZACIVSA-N
XLogP0.89
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid
CID 142418920
fluoro 2-[3-fluoro-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]azetidin-1-yl]acetate;2-[3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylcarbamoyl]pyrrolidin-1-yl]acetic acid
CID 142419043
(2S)-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]propanoic acid
CID 142419026
ethyl 2-phenyl-2-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetate
CID 135312363
2-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethylcarbamoylamino]piperidin-1-yl]acetic acid
CID 135312166
2-[2-(propylamino)phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
CID 151550952
2-[2-(ethylcarbamoyl)phenyl]-2-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid
CID 146607897
1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-4-carboxamide
CID 175876666
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-naphthalen-1-yl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121397
5-amino-N-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]spiro[2.3]hexane-2-carboxamide
CID 166295535
2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid
CID 134500999

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid (CID 135312433) is 2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid is O=C(O)CN1CC[C@@H](C(=O)NCCCc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of 2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is LYZDZHACNOOVPJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-16(24)12-22-10-7-14(11-22)18(25)20-9-2-4-15-6-5-13-3-1-8-19-17(13)21-15/h5-6,14H,1-4,7-12H2,(H,19,21)(H,20,25)(H,23,24)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid?
2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 346.43 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 135312433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).