2-pyrrolidin-3-yloxyacetic acid;hydrochloride

C6H12ClNO3 — CID 67232342

IUPAC2-pyrrolidin-3-yloxyacetic acid;hydrochloride
SMILESCl.O=C(O)COC1CCNC1
InChIInChI=1S/C6H11NO3.ClH/c8-6(9)4-10-5-1-2-7-3-5;/h5,7H,1-4H2,(H,8,9);1H
InChIKeyHVMFNAFAIQPXAA-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.13
Rot. Bonds3

About 2-pyrrolidin-3-yloxyacetic acid;hydrochloride

2-pyrrolidin-3-yloxyacetic acid;hydrochloride (PubChem CID 67232342) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 2-pyrrolidin-3-yloxyacetic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-yloxyacetic acid;hydrochloride
PubChem CID67232342
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name2-pyrrolidin-3-yloxyacetic acid;hydrochloride
SMILESCl.O=C(O)COC1CCNC1
InChIInChI=1S/C6H11NO3.ClH/c8-6(9)4-10-5-1-2-7-3-5;/h5,7H,1-4H2,(H,8,9);1H
InChIKeyHVMFNAFAIQPXAA-UHFFFAOYSA-N
XLogP-0.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3R)-pyrrolidin-3-yloxy]acetate hydrochloride
CID 74889924
2-(4,4-Difluoropyrrolidin-3-yl)oxyacetic acid
CID 134533911
2-[(3S)-pyrrolidin-3-yl]oxyacetic acid;2,2,2-trifluoroacetic acid
CID 138689780
2-[(3R,4R)-4-fluoropyrrolidin-3-yl]oxyacetic acid
CID 138731935
methyl (R)-2-(pyrrolidin-3-yloxy)acetate
CID 34180566
Methyl (R)-2-(pyrrolidin-3-yloxy)acetate 2,2,2-trifluoroacetate
CID 162369760
(S)-(Pyrrolidin-3-yloxy)-acetic acid methyl ester
CID 34180571
Methyl 2-(pyrrolidin-3-yloxy)acetate
CID 44607833
2-(Pyrrolidin-3-yloxy)acetic acid
CID 53744110
(2R,5S)-5-methyl-1,3-oxazolidine-2-carboxylic acid
CID 53842554
(1-Methyl-pyrrolidin-3-yloxy)-acetic acid
CID 58492295
ethyl 2-[(3S)-pyrrolidin-3-yloxy]acetate
CID 59830641

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yloxyacetic acid;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-yloxyacetic acid;hydrochloride (CID 67232342) is 2-pyrrolidin-3-yloxyacetic acid;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-yloxyacetic acid;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-yloxyacetic acid;hydrochloride is Cl.O=C(O)COC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-yloxyacetic acid;hydrochloride?
The InChIKey is HVMFNAFAIQPXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c8-6(9)4-10-5-1-2-7-3-5;/h5,7H,1-4H2,(H,8,9);1H.
What are the key properties of 2-pyrrolidin-3-yloxyacetic acid;hydrochloride?
2-pyrrolidin-3-yloxyacetic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yloxyacetic acid;hydrochloride is sourced from PubChem (CID 67232342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).