(2R)-2-amino-2-cyclopropylethane-1,1-diol

C5H11NO2 — CID 130242537

IUPAC(2R)-2-amino-2-cyclopropylethane-1,1-diol
SMILESN[C@@H](C(O)O)C1CC1
InChIInChI=1S/C5H11NO2/c6-4(5(7)8)3-1-2-3/h3-5,7-8H,1-2,6H2/t4-/m1/s1
InChIKeyDDPDYSAIIJPANJ-SCSAIBSYSA-N
MW117.15 g/mol
LogP-0.97
Rot. Bonds2

About (2R)-2-amino-2-cyclopropylethane-1,1-diol

(2R)-2-amino-2-cyclopropylethane-1,1-diol (PubChem CID 130242537) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclopropylethane-1,1-diol.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclopropylethane-1,1-diol
PubChem CID130242537
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2R)-2-amino-2-cyclopropylethane-1,1-diol
SMILESN[C@@H](C(O)O)C1CC1
InChIInChI=1S/C5H11NO2/c6-4(5(7)8)3-1-2-3/h3-5,7-8H,1-2,6H2/t4-/m1/s1
InChIKeyDDPDYSAIIJPANJ-SCSAIBSYSA-N
XLogP-0.97
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.97
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

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CID 68935616
(2S,3S)-3-amino-3-cyclopropyl-2-hydroxypropanoic acid
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1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
1-amino-1-cyclobutylpropan-2-ol
CID 55295141
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
CID 55295105
2-amino-2-(2-hydroxycyclohexyl)ethane-1,1-diol
CID 90745280
1-amino-3-cyclopropylpropane-1,3-diol
CID 174886363
amino-(4-methylcyclohexyl)methanol
CID 89201512
1-cyclopropyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312045
2-amino-2-cyclopropyl-1-(2-cyclopropylpyrimidin-5-yl)ethanol
CID 170993637
(1R)-2-amino-1-cyclopropylethanol
CID 51669576
2-amino-1-cyclopropylethanol
CID 14852098

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclopropylethane-1,1-diol?
The IUPAC name of (2R)-2-amino-2-cyclopropylethane-1,1-diol (CID 130242537) is (2R)-2-amino-2-cyclopropylethane-1,1-diol.
What is the SMILES notation for (2R)-2-amino-2-cyclopropylethane-1,1-diol?
The canonical SMILES for (2R)-2-amino-2-cyclopropylethane-1,1-diol is N[C@@H](C(O)O)C1CC1.
What is the InChIKey of (2R)-2-amino-2-cyclopropylethane-1,1-diol?
The InChIKey is DDPDYSAIIJPANJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2/c6-4(5(7)8)3-1-2-3/h3-5,7-8H,1-2,6H2/t4-/m1/s1.
What are the key properties of (2R)-2-amino-2-cyclopropylethane-1,1-diol?
(2R)-2-amino-2-cyclopropylethane-1,1-diol has a molecular weight of 117.15 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclopropylethane-1,1-diol is sourced from PubChem (CID 130242537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).