(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol

C6H14N2O — CID 97168753

IUPAC(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol
SMILESN[C@H](CCO)C1CNC1
InChIInChI=1S/C6H14N2O/c7-6(1-2-9)5-3-8-4-5/h5-6,8-9H,1-4,7H2/t6-/m1/s1
InChIKeyVQPRDZNYTXZSPW-ZCFIWIBFSA-N
MW130.19 g/mol
LogP-1.08
Rot. Bonds3

About (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol

(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol (PubChem CID 97168753) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol
PubChem CID97168753
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol
SMILESN[C@H](CCO)C1CNC1
InChIInChI=1S/C6H14N2O/c7-6(1-2-9)5-3-8-4-5/h5-6,8-9H,1-4,7H2/t6-/m1/s1
InChIKeyVQPRDZNYTXZSPW-ZCFIWIBFSA-N
XLogP-1.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-3-methylbutan-1-amine
CID 116935262
2-amino-2-(azetidin-3-yl)acetonitrile
CID 175895085
3-amino-3-(4-tert-butylcyclohexyl)propan-1-ol
CID 104575909
3-amino-3-cyclohex-3-en-1-ylpropan-1-ol
CID 55250623
3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol
CID 131123429
(1S)-1-(azetidin-3-yl)ethanamine
CID 96955547
(4S)-4-amino-4-cyclohexylbutan-1-ol
CID 102516079
(2S)-2-amino-2-piperidin-4-ylethanol
CID 55283997
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
(4S)-4-amino-4-cyclopropylbutanoic acid
CID 55291872
4-(azetidin-3-ylamino)-3-methylbutan-1-ol
CID 66090650
3-amino-3-cyclohex-2-en-1-ylpropan-1-ol
CID 68852884

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol (CID 97168753) is (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol is N[C@H](CCO)C1CNC1.
What is the InChIKey of (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol?
The InChIKey is VQPRDZNYTXZSPW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H14N2O/c7-6(1-2-9)5-3-8-4-5/h5-6,8-9H,1-4,7H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol?
(3R)-3-amino-3-(azetidin-3-yl)propan-1-ol has a molecular weight of 130.19 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(azetidin-3-yl)propan-1-ol is sourced from PubChem (CID 97168753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).