(2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide

C17H33N3O7 — CID 10548483

About (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide

(2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide (PubChem CID 10548483) has the molecular formula C17H33N3O7 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide
• PubChem CID: 10548483
• Molecular Formula: C17H33N3O7
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.23
• IUPAC Name: (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide
• SMILES: C[C@@H]1O[C@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@@H](O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C17H33N3O7/c1-10(18)16(25)20-9-12(21)19-7-5-3-4-6-8-26-17-15(24)14(23)13(22)11(2)27-17/h10-11,13-15,17,22-24H,3-9,18H2,1-2H3,(H,19,21)(H,20,25)/t10-,11+,13-,14-,15+,17+/m1/s1
• InChIKey: PSPRWHOGKOTIMH-CTEBAQDESA-N
• XLogP: -2.03
• TPSA: 163.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	-2.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide?

The IUPAC name of (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide (CID 10548483) is (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide.

What is the SMILES notation for (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide?

The canonical SMILES for (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide is C[C@@H]1O[C@H](OCCCCCCNC(=O)CNC(=O)[C@@H](C)N)[C@@H](O)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide?

The InChIKey is PSPRWHOGKOTIMH-CTEBAQDESA-N. The full InChI is InChI=1S/C17H33N3O7/c1-10(18)16(25)20-9-12(21)19-7-5-3-4-6-8-26-17-15(24)14(23)13(22)11(2)27-17/h10-11,13-15,17,22-24H,3-9,18H2,1-2H3,(H,19,21)(H,20,25)/t10-,11+,13-,14-,15+,17+/m1/s1.

What are the key properties of (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide?

(2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide has a molecular weight of 391.47 g/mol, XLogP of -2.03, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[2-oxo-2-[6-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexylamino]ethyl]propanamide is sourced from PubChem (CID 10548483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).