N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide

C11H20N2O5 — CID 42627785

IUPACN-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1C(N)O[C@H](C=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20N2O5/c1-2-3-4-7(15)13-8-10(17)9(16)6(5-14)18-11(8)12/h5-6,8-11,16-17H,2-4,12H2,1H3,(H,13,15)/t6-,8-,9-,10-,11?/m1/s1
InChIKeyOVIZBQIKDCSYTE-FFLVSVRWSA-N
MW260.29 g/mol
LogP-1.73
Rot. Bonds5

About N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide

N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide (PubChem CID 42627785) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide
PubChem CID42627785
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC NameN-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H]1C(N)O[C@H](C=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20N2O5/c1-2-3-4-7(15)13-8-10(17)9(16)6(5-14)18-11(8)12/h5-6,8-11,16-17H,2-4,12H2,1H3,(H,13,15)/t6-,8-,9-,10-,11?/m1/s1
InChIKeyOVIZBQIKDCSYTE-FFLVSVRWSA-N
XLogP-1.73
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide?
The IUPAC name of N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide (CID 42627785) is N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide.
What is the SMILES notation for N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide?
The canonical SMILES for N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide is CCCCC(=O)N[C@H]1C(N)O[C@H](C=O)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide?
The InChIKey is OVIZBQIKDCSYTE-FFLVSVRWSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-3-4-7(15)13-8-10(17)9(16)6(5-14)18-11(8)12/h5-6,8-11,16-17H,2-4,12H2,1H3,(H,13,15)/t6-,8-,9-,10-,11?/m1/s1.
What are the key properties of N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide?
N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide has a molecular weight of 260.29 g/mol, XLogP of -1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R,5S,6S)-2-amino-6-formyl-4,5-dihydroxyoxan-3-yl]pentanamide is sourced from PubChem (CID 42627785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).