benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate

C21H26N4O3 — CID 175414508

About benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate

benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate (PubChem CID 175414508) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate
• PubChem CID: 175414508
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate
• SMILES: NC(=O)C[C@H](CCNC(=O)OCc1ccccc1)c1ccc2c(n1)NCCC2
• InChI: InChI=1S/C21H26N4O3/c22-19(26)13-17(18-9-8-16-7-4-11-23-20(16)25-18)10-12-24-21(27)28-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,17H,4,7,10-14H2,(H2,22,26)(H,23,25)(H,24,27)/t17-/m0/s1
• InChIKey: LFZXECHBSCDMJE-KRWDZBQOSA-N
• XLogP: 2.72
• TPSA: 106.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate?

The IUPAC name of benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate (CID 175414508) is benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate.

What is the SMILES notation for benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate?

The canonical SMILES for benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate is NC(=O)C[C@H](CCNC(=O)OCc1ccccc1)c1ccc2c(n1)NCCC2.

What is the InChIKey of benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate?

The InChIKey is LFZXECHBSCDMJE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4O3/c22-19(26)13-17(18-9-8-16-7-4-11-23-20(16)25-18)10-12-24-21(27)28-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,17H,4,7,10-14H2,(H2,22,26)(H,23,25)(H,24,27)/t17-/m0/s1.

What are the key properties of benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate?

benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate has a molecular weight of 382.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(3S)-5-amino-5-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]carbamate is sourced from PubChem (CID 175414508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).