(2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol

C6H11NO2 — CID 55290183

IUPAC(2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol
SMILESC#C[C@@](C)(O)[C@H](N)CO
InChIInChI=1S/C6H11NO2/c1-3-6(2,9)5(7)4-8/h1,5,8-9H,4,7H2,2H3/t5-,6-/m1/s1
InChIKeyMBNMRWNTAKFDLK-PHDIDXHHSA-N
MW129.16 g/mol
LogP-1.31
Rot. Bonds2

About (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol

(2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol (PubChem CID 55290183) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol
PubChem CID55290183
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol
SMILESC#C[C@@](C)(O)[C@H](N)CO
InChIInChI=1S/C6H11NO2/c1-3-6(2,9)5(7)4-8/h1,5,8-9H,4,7H2,2H3/t5-,6-/m1/s1
InChIKeyMBNMRWNTAKFDLK-PHDIDXHHSA-N
XLogP-1.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol?
The IUPAC name of (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol (CID 55290183) is (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol.
What is the SMILES notation for (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol?
The canonical SMILES for (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol is C#C[C@@](C)(O)[C@H](N)CO.
What is the InChIKey of (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol?
The InChIKey is MBNMRWNTAKFDLK-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-6(2,9)5(7)4-8/h1,5,8-9H,4,7H2,2H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol?
(2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol has a molecular weight of 129.16 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-methylpent-4-yne-1,3-diol is sourced from PubChem (CID 55290183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).