(2R,3R)-3-(methylamino)pent-4-yn-2-ol

C6H11NO — CID 141023691

IUPAC(2R,3R)-3-(methylamino)pent-4-yn-2-ol
SMILESC#C[C@@H](NC)[C@@H](C)O
InChIInChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h1,5-8H,2-3H3/t5-,6-/m1/s1
InChIKeyPDXNXCWXBIRBSA-PHDIDXHHSA-N
MW113.16 g/mol
LogP-0.41
Rot. Bonds2

About (2R,3R)-3-(methylamino)pent-4-yn-2-ol

(2R,3R)-3-(methylamino)pent-4-yn-2-ol (PubChem CID 141023691) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2R,3R)-3-(methylamino)pent-4-yn-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(methylamino)pent-4-yn-2-ol
PubChem CID141023691
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2R,3R)-3-(methylamino)pent-4-yn-2-ol
SMILESC#C[C@@H](NC)[C@@H](C)O
InChIInChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h1,5-8H,2-3H3/t5-,6-/m1/s1
InChIKeyPDXNXCWXBIRBSA-PHDIDXHHSA-N
XLogP-0.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 114417110
1-(methylamino)ethanol;hydroiodide
CID 173051300
3,4-dimethylhex-5-yne-2,4-diol
CID 130124849
(2R,3S,4R)-3-(ethylamino)hex-5-yne-2,4-diol
CID 141023692
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
acetic acid;but-3-yn-2-ol
CID 71353885
zinc;1-(methylamino)ethanol;diperchlorate;hexahydrate
CID 173116183
N-(4-methylpent-1-yn-3-yl)acetamide
CID 123211812
4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine
CID 126658180
(2S,3R)-2-(methylamino)butane-1,3-diol
CID 59886106
3-(1-hydroxyethyl)-2-methylpent-4-ynamide
CID 86180547
N-but-3-yn-2-yl-2-hydroxypropanamide
CID 126994434

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(methylamino)pent-4-yn-2-ol?
The IUPAC name of (2R,3R)-3-(methylamino)pent-4-yn-2-ol (CID 141023691) is (2R,3R)-3-(methylamino)pent-4-yn-2-ol.
What is the SMILES notation for (2R,3R)-3-(methylamino)pent-4-yn-2-ol?
The canonical SMILES for (2R,3R)-3-(methylamino)pent-4-yn-2-ol is C#C[C@@H](NC)[C@@H](C)O.
What is the InChIKey of (2R,3R)-3-(methylamino)pent-4-yn-2-ol?
The InChIKey is PDXNXCWXBIRBSA-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(7-3)5(2)8/h1,5-8H,2-3H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-(methylamino)pent-4-yn-2-ol?
(2R,3R)-3-(methylamino)pent-4-yn-2-ol has a molecular weight of 113.16 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(methylamino)pent-4-yn-2-ol is sourced from PubChem (CID 141023691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).