1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride

C5H12ClNO2 — CID 146101816

IUPAC1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride
SMILESCl.NC1(C(O)CO)CC1
InChIInChI=1S/C5H11NO2.ClH/c6-5(1-2-5)4(8)3-7;/h4,7-8H,1-3,6H2;1H
InChIKeyFEUIEQHXGBYMMP-UHFFFAOYSA-N
MW153.61 g/mol
LogP-0.75
Rot. Bonds2

About 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride

1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride (PubChem CID 146101816) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride
PubChem CID146101816
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride
SMILESCl.NC1(C(O)CO)CC1
InChIInChI=1S/C5H11NO2.ClH/c6-5(1-2-5)4(8)3-7;/h4,7-8H,1-3,6H2;1H
InChIKeyFEUIEQHXGBYMMP-UHFFFAOYSA-N
XLogP-0.75
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(1R)-1-(1-aminocyclopropyl)ethanol
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CID 144771273
CID 144771273
1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol
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CID 91663075
1-[4-(hydroxymethyl)piperidin-4-yl]ethane-1,2-diol
CID 154222785
acetic acid;1-(1-hydroxycyclopropyl)ethane-1,2-diol
CID 68668361
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
(1R)-1-aminoethane-1,2-diol
CID 140649256
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride?
The IUPAC name of 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride (CID 146101816) is 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride.
What is the SMILES notation for 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride?
The canonical SMILES for 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride is Cl.NC1(C(O)CO)CC1.
What is the InChIKey of 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride?
The InChIKey is FEUIEQHXGBYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c6-5(1-2-5)4(8)3-7;/h4,7-8H,1-3,6H2;1H.
What are the key properties of 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride?
1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride has a molecular weight of 153.61 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 1-(1-aminocyclopropyl)ethane-1,2-diol;hydrochloride is sourced from PubChem (CID 146101816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).