(2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol

C9H19NO2 — CID 104866229

IUPAC(2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol
SMILESCCC1(NC[C@H](O)CO)CCC1
InChIInChI=1S/C9H19NO2/c1-2-9(4-3-5-9)10-6-8(12)7-11/h8,10-12H,2-7H2,1H3/t8-/m0/s1
InChIKeyLBCCLHSIWOSAQG-QMMMGPOBSA-N
MW173.26 g/mol
LogP0.26
Rot. Bonds5

About (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol

(2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol (PubChem CID 104866229) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol
PubChem CID104866229
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol
SMILESCCC1(NC[C@H](O)CO)CCC1
InChIInChI=1S/C9H19NO2/c1-2-9(4-3-5-9)10-6-8(12)7-11/h8,10-12H,2-7H2,1H3/t8-/m0/s1
InChIKeyLBCCLHSIWOSAQG-QMMMGPOBSA-N
XLogP0.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
1-butoxy-3-[[1-(hydroxymethyl)cyclobutyl]amino]propan-2-ol
CID 107263123
1-(diethylamino)-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 62522227
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
6-[(1-ethylcyclobutyl)amino]hexan-1-ol
CID 107703649
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
CID 83120398
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
CID 63697255
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
ethane;1-ethyl-N-methylcyclobutan-1-amine
CID 171514918

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol (CID 104866229) is (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol is CCC1(NC[C@H](O)CO)CCC1.
What is the InChIKey of (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol?
The InChIKey is LBCCLHSIWOSAQG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-9(4-3-5-9)10-6-8(12)7-11/h8,10-12H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol?
(2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol has a molecular weight of 173.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol is sourced from PubChem (CID 104866229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).