N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C12H25N3O6 — CID 122224356

IUPACN-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCON(CCCN)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C12H25N3O6/c1-7(17)14-9-11(19)10(18)8(6-16)21-12(9)15(20-2)5-3-4-13/h8-12,16,18-19H,3-6,13H2,1-2H3,(H,14,17)/t8-,9-,10-,11-,12-/m1/s1
InChIKeyRFRBNQQDDNTOIM-LZQZFOIKSA-N
MW307.35 g/mol
LogP-2.86
Rot. Bonds7

About N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 122224356) has the molecular formula C12H25N3O6 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID122224356
Molecular FormulaC12H25N3O6
Molecular Weight307.35 g/mol
Exact Mass307.17
IUPAC NameN-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCON(CCCN)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C12H25N3O6/c1-7(17)14-9-11(19)10(18)8(6-16)21-12(9)15(20-2)5-3-4-13/h8-12,16,18-19H,3-6,13H2,1-2H3,(H,14,17)/t8-,9-,10-,11-,12-/m1/s1
InChIKeyRFRBNQQDDNTOIM-LZQZFOIKSA-N
XLogP-2.86
TPSA137.51 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-2.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,3R,4R,5S,6R)-2-(5-aminopentoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 101053297
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
N-[(2S,3S,4R,5S,6R)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 68989394
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(2R,3S,4S,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11861101
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 58718646
N-[(3S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 16757753
N-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11869611
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-oxopropyl)oxan-3-yl]acetamide
CID 11379971
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 177167947

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 122224356) is N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CON(CCCN)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is RFRBNQQDDNTOIM-LZQZFOIKSA-N. The full InChI is InChI=1S/C12H25N3O6/c1-7(17)14-9-11(19)10(18)8(6-16)21-12(9)15(20-2)5-3-4-13/h8-12,16,18-19H,3-6,13H2,1-2H3,(H,14,17)/t8-,9-,10-,11-,12-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of -2.86, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-2-[3-aminopropyl(methoxy)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 122224356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).