(1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol

C7H17NO3 — CID 124562463

IUPAC(1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol
SMILESCC[C@H](O)N([C@@H](C)O)[C@@H](C)O
InChIInChI=1S/C7H17NO3/c1-4-7(11)8(5(2)9)6(3)10/h5-7,9-11H,4H2,1-3H3/t5-,6-,7+/m1/s1
InChIKeyMUTWNPZCLOEOFH-QYNIQEEDSA-N
MW163.22 g/mol
LogP-0.31
Rot. Bonds4

About (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol

(1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol (PubChem CID 124562463) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol
PubChem CID124562463
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name(1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol
SMILESCC[C@H](O)N([C@@H](C)O)[C@@H](C)O
InChIInChI=1S/C7H17NO3/c1-4-7(11)8(5(2)9)6(3)10/h5-7,9-11H,4H2,1-3H3/t5-,6-,7+/m1/s1
InChIKeyMUTWNPZCLOEOFH-QYNIQEEDSA-N
XLogP-0.31
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol?
The IUPAC name of (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol (CID 124562463) is (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol.
What is the SMILES notation for (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol?
The canonical SMILES for (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol is CC[C@H](O)N([C@@H](C)O)[C@@H](C)O.
What is the InChIKey of (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol?
The InChIKey is MUTWNPZCLOEOFH-QYNIQEEDSA-N. The full InChI is InChI=1S/C7H17NO3/c1-4-7(11)8(5(2)9)6(3)10/h5-7,9-11H,4H2,1-3H3/t5-,6-,7+/m1/s1.
What are the key properties of (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol?
(1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol has a molecular weight of 163.22 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol is sourced from PubChem (CID 124562463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).