(2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol

C7H17NO3 — CID 59968163

IUPAC(2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol
SMILESC[C@@H](O)CCOC[C@H](N)CO
InChIInChI=1S/C7H17NO3/c1-6(10)2-3-11-5-7(8)4-9/h6-7,9-10H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyMGHBKDYQYVSTEH-RNFRBKRXSA-N
MW163.22 g/mol
LogP-0.91
Rot. Bonds6

About (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol

(2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol (PubChem CID 59968163) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol
PubChem CID59968163
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name(2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol
SMILESC[C@@H](O)CCOC[C@H](N)CO
InChIInChI=1S/C7H17NO3/c1-6(10)2-3-11-5-7(8)4-9/h6-7,9-10H,2-5,8H2,1H3/t6-,7-/m1/s1
InChIKeyMGHBKDYQYVSTEH-RNFRBKRXSA-N
XLogP-0.91
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol?
The IUPAC name of (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol (CID 59968163) is (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol.
What is the SMILES notation for (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol?
The canonical SMILES for (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol is C[C@@H](O)CCOC[C@H](N)CO.
What is the InChIKey of (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol?
The InChIKey is MGHBKDYQYVSTEH-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(10)2-3-11-5-7(8)4-9/h6-7,9-10H,2-5,8H2,1H3/t6-,7-/m1/s1.
What are the key properties of (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol?
(2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol has a molecular weight of 163.22 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2R)-2-amino-3-hydroxypropoxy]butan-2-ol is sourced from PubChem (CID 59968163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).