(2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol

C8H17NO3 — CID 148781197

IUPAC(2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol
SMILESC=NC(CO)COCC[C@@H](C)O
InChIInChI=1S/C8H17NO3/c1-7(11)3-4-12-6-8(5-10)9-2/h7-8,10-11H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyOKIGJADFAYTPMY-GVHYBUMESA-N
MW175.23 g/mol
LogP-0.16
Rot. Bonds7

About (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol

(2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol (PubChem CID 148781197) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol
PubChem CID148781197
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol
SMILESC=NC(CO)COCC[C@@H](C)O
InChIInChI=1S/C8H17NO3/c1-7(11)3-4-12-6-8(5-10)9-2/h7-8,10-11H,2-6H2,1H3/t7-,8?/m1/s1
InChIKeyOKIGJADFAYTPMY-GVHYBUMESA-N
XLogP-0.16
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol?
The IUPAC name of (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol (CID 148781197) is (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol.
What is the SMILES notation for (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol?
The canonical SMILES for (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol is C=NC(CO)COCC[C@@H](C)O.
What is the InChIKey of (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol?
The InChIKey is OKIGJADFAYTPMY-GVHYBUMESA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(11)3-4-12-6-8(5-10)9-2/h7-8,10-11H,2-6H2,1H3/t7-,8?/m1/s1.
What are the key properties of (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol?
(2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol has a molecular weight of 175.23 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-hydroxy-2-(methylideneamino)propoxy]butan-2-ol is sourced from PubChem (CID 148781197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).