(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide

C8H13NO3 — CID 11116505

IUPAC(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide
SMILESC#C[C@H](O)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C8H13NO3/c1-5-7(10)6(2)8(11)9(3)12-4/h1,6-7,10H,2-4H3/t6-,7+/m1/s1
InChIKeyUYBPBLSUFPNDBD-RQJHMYQMSA-N
MW171.20 g/mol
LogP-0.36
Rot. Bonds3

About (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide

(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide (PubChem CID 11116505) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide
PubChem CID11116505
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide
SMILESC#C[C@H](O)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C8H13NO3/c1-5-7(10)6(2)8(11)9(3)12-4/h1,6-7,10H,2-4H3/t6-,7+/m1/s1
InChIKeyUYBPBLSUFPNDBD-RQJHMYQMSA-N
XLogP-0.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethyl-5-trimethylsilylpent-4-ynamide
CID 11817385
3-hydroxy-N-methoxy-N,2-dimethylpentanamide
CID 85166766
(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
CID 71492099
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxobut-3-yn-2-yl]carbamate
CID 126732205
(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
CID 134856365
(2S,3S)-3-(hydroxymethyl)-N-methoxy-N,2-dimethylpent-4-enamide
CID 130367251
(2S,3R,6S,8S,9R,10S)-3-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-N-methoxy-N,2,6,8,10-pentamethyldodec-11-ynamide
CID 66572021
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
CID 158882203
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077
(2S,4S,5R,6R)-5-hydroxy-N-methoxy-N,2,4,6-tetramethyl-3-oxononanamide
CID 11097720

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide?
The IUPAC name of (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide (CID 11116505) is (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide.
What is the SMILES notation for (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide?
The canonical SMILES for (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide is C#C[C@H](O)[C@@H](C)C(=O)N(C)OC.
What is the InChIKey of (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide?
The InChIKey is UYBPBLSUFPNDBD-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5-7(10)6(2)8(11)9(3)12-4/h1,6-7,10H,2-4H3/t6-,7+/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide?
(2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide has a molecular weight of 171.20 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-N-methoxy-N,2-dimethylpent-4-ynamide is sourced from PubChem (CID 11116505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).