2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride

C7H14ClNO2 — CID 170915600

IUPAC2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
SMILESCCN1CC(CC(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-8-4-6(5-8)3-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyCPFKVPUPOQSELC-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.83
Rot. Bonds3

About 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride

2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride (PubChem CID 170915600) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
PubChem CID170915600
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
SMILESCCN1CC(CC(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-8-4-6(5-8)3-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyCPFKVPUPOQSELC-UHFFFAOYSA-N
XLogP0.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,2-dimethylpropyl)azetidin-3-yl]acetic acid
CID 65069491
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992106
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
CID 64618314
2-(1-ethylazetidin-3-yl)-N-propan-2-ylacetamide
CID 135224952
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
2-[1-(1-propylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 65069382
2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
CID 64618110
2-[1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617338
2-[1-(4-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64747382
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
2-(1-methylsulfinylazetidin-3-yl)acetic acid
CID 127015602

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride (CID 170915600) is 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride is CCN1CC(CC(=O)O)C1.Cl.
What is the InChIKey of 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride?
The InChIKey is CPFKVPUPOQSELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-2-8-4-6(5-8)3-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride?
2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride is sourced from PubChem (CID 170915600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).