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

C20H28N4O5 — CID 142419173

IUPAC2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid
SMILESCC(=O)NC(C(=O)O)C1(O)CN(C(=O)CCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C20H28N4O5/c1-13(25)22-17(19(27)28)20(29)11-24(12-20)16(26)7-3-2-6-15-9-8-14-5-4-10-21-18(14)23-15/h8-9,17,29H,2-7,10-12H2,1H3,(H,21,23)(H,22,25)(H,27,28)
InChIKeyPDCLWYWZEFJSOH-UHFFFAOYSA-N
MW404.47 g/mol
LogP0.32
Rot. Bonds8

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

2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid (PubChem CID 142419173) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid
PubChem CID142419173
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC Name2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid
SMILESCC(=O)NC(C(=O)O)C1(O)CN(C(=O)CCCCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C20H28N4O5/c1-13(25)22-17(19(27)28)20(29)11-24(12-20)16(26)7-3-2-6-15-9-8-14-5-4-10-21-18(14)23-15/h8-9,17,29H,2-7,10-12H2,1H3,(H,21,23)(H,22,25)(H,27,28)
InChIKeyPDCLWYWZEFJSOH-UHFFFAOYSA-N
XLogP0.32
TPSA131.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-acetamido-2-[3-hydroxy-1-[6-(5,6,7,8-tetrahydroquinolin-2-yl)hexanoyl]azetidin-3-yl]acetic acid
CID 148832342
(2R)-2-phenyl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperazin-1-yl]acetic acid
CID 142418869
1-[4-(1-cyclohexyl-2-oxopropyl)-4-hydroxypiperidin-1-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one
CID 158267432
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-[(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
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
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-phenyl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 75002097
N-[2-hydroxy-5-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pent-1-en-3-yl]acetamide
CID 174333314
2-[3-hydroxy-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propylcarbamoyl]azetidin-3-yl]acetic acid
CID 135317929
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid (CID 142419173) is 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid is CC(=O)NC(C(=O)O)C1(O)CN(C(=O)CCCCc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid?
The InChIKey is PDCLWYWZEFJSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5/c1-13(25)22-17(19(27)28)20(29)11-24(12-20)16(26)7-3-2-6-15-9-8-14-5-4-10-21-18(14)23-15/h8-9,17,29H,2-7,10-12H2,1H3,(H,21,23)(H,22,25)(H,27,28).
What are the key properties of 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid?
2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid has a molecular weight of 404.47 g/mol, XLogP of 0.32, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-[3-hydroxy-1-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 142419173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).