4-(cyclopropylamino)butane-1,3-diol

C7H15NO2 — CID 117236694

IUPAC4-(cyclopropylamino)butane-1,3-diol
SMILESOCCC(O)CNC1CC1
InChIInChI=1S/C7H15NO2/c9-4-3-7(10)5-8-6-1-2-6/h6-10H,1-5H2
InChIKeyNNIWOFNGOJNCTE-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.52
Rot. Bonds5

About 4-(cyclopropylamino)butane-1,3-diol

4-(cyclopropylamino)butane-1,3-diol (PubChem CID 117236694) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-(cyclopropylamino)butane-1,3-diol.

Molecular Properties

Compound Name4-(cyclopropylamino)butane-1,3-diol
PubChem CID117236694
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-(cyclopropylamino)butane-1,3-diol
SMILESOCCC(O)CNC1CC1
InChIInChI=1S/C7H15NO2/c9-4-3-7(10)5-8-6-1-2-6/h6-10H,1-5H2
InChIKeyNNIWOFNGOJNCTE-UHFFFAOYSA-N
XLogP-0.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclododecylamino)propane-1,2-diol
CID 66175077
1-(cyclopropylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734212
1-(cyclopropylamino)-3-methoxypropan-2-ol
CID 21034992
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
1-(cyclopentylamino)nonan-2-ol
CID 115002403
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-(cyclobutylamino)butan-2-ol
CID 62416322
(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 124669128
1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
1-(cyclopropylamino)-4-methoxy-4-methylpentan-2-ol
CID 106676447

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)butane-1,3-diol?
The IUPAC name of 4-(cyclopropylamino)butane-1,3-diol (CID 117236694) is 4-(cyclopropylamino)butane-1,3-diol.
What is the SMILES notation for 4-(cyclopropylamino)butane-1,3-diol?
The canonical SMILES for 4-(cyclopropylamino)butane-1,3-diol is OCCC(O)CNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)butane-1,3-diol?
The InChIKey is NNIWOFNGOJNCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c9-4-3-7(10)5-8-6-1-2-6/h6-10H,1-5H2.
What are the key properties of 4-(cyclopropylamino)butane-1,3-diol?
4-(cyclopropylamino)butane-1,3-diol has a molecular weight of 145.20 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)butane-1,3-diol is sourced from PubChem (CID 117236694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).