N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C13H21N3O6 — CID 71236049

IUPACN-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNOCC[C@@H](O)[C@H](O)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H21N3O6/c14-22-8-5-10(18)9(17)3-6-15-11(19)4-7-16-12(20)1-2-13(16)21/h1-2,9-10,17-18H,3-8,14H2,(H,15,19)/t9-,10-/m1/s1
InChIKeyMQPZXJRMKBUYIV-NXEZZACHSA-N
MW315.33 g/mol
LogP-2.19
Rot. Bonds10

About N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 71236049) has the molecular formula C13H21N3O6 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID71236049
Molecular FormulaC13H21N3O6
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC NameN-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESNOCC[C@@H](O)[C@H](O)CCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H21N3O6/c14-22-8-5-10(18)9(17)3-6-15-11(19)4-7-16-12(20)1-2-13(16)21/h1-2,9-10,17-18H,3-8,14H2,(H,15,19)/t9-,10-/m1/s1
InChIKeyMQPZXJRMKBUYIV-NXEZZACHSA-N
XLogP-2.19
TPSA142.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 71236049) is N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is NOCC[C@@H](O)[C@H](O)CCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is MQPZXJRMKBUYIV-NXEZZACHSA-N. The full InChI is InChI=1S/C13H21N3O6/c14-22-8-5-10(18)9(17)3-6-15-11(19)4-7-16-12(20)1-2-13(16)21/h1-2,9-10,17-18H,3-8,14H2,(H,15,19)/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 315.33 g/mol, XLogP of -2.19, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-6-aminooxy-3,4-dihydroxyhexyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 71236049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).