(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol

C4H11NO2 — CID 93481820

IUPAC(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
SMILESC[C@H](O)N[C@H](C)O
InChIInChI=1S/C4H11NO2/c1-3(6)5-4(2)7/h3-7H,1-2H3/t3-,4-/m0/s1
InChIKeyTVQPFKYZTLIICE-IMJSIDKUSA-N
MW105.14 g/mol
LogP-0.75
Rot. Bonds2

About (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol

(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol (PubChem CID 93481820) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
PubChem CID93481820
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol
SMILESC[C@H](O)N[C@H](C)O
InChIInChI=1S/C4H11NO2/c1-3(6)5-4(2)7/h3-7H,1-2H3/t3-,4-/m0/s1
InChIKeyTVQPFKYZTLIICE-IMJSIDKUSA-N
XLogP-0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxyethylamino)ethanol
CID 18183743
1-(1-hydroxyethylamino)ethanol;hydrochloride
CID 57449436
1-(1-hydroxyethylamino)ethanol;hydrobromide
CID 173051488
1-(propan-2-ylamino)ethanol
CID 20976152
formic acid;1-(1-hydroxyethylamino)ethanol
CID 87300011
2,3-dihydroxybutanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 173051476
1-(1-bromoethylamino)ethanol
CID 174881893
1-(dichloromethylamino)ethanol
CID 57255602
2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol
CID 173051150
1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
CID 173188984
hexanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 87300417
1-(pentan-3-ylamino)ethanol
CID 18004281

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol?
The IUPAC name of (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol (CID 93481820) is (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol.
What is the SMILES notation for (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol?
The canonical SMILES for (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol is C[C@H](O)N[C@H](C)O.
What is the InChIKey of (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol?
The InChIKey is TVQPFKYZTLIICE-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H11NO2/c1-3(6)5-4(2)7/h3-7H,1-2H3/t3-,4-/m0/s1.
What are the key properties of (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol?
(1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol has a molecular weight of 105.14 g/mol, XLogP of -0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[(1S)-1-hydroxyethyl]amino]ethanol is sourced from PubChem (CID 93481820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).