2-[(2S)-pyrrolidin-1-ium-2-yl]acetate

C6H11NO2 — CID 7014920

IUPAC2-[(2S)-pyrrolidin-1-ium-2-yl]acetate
SMILESO=C([O-])C[C@@H]1CCC[NH2+]1
InChIInChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyADSALMJPJUKESW-YFKPBYRVSA-N
MW129.16 g/mol
LogP-2.15
Rot. Bonds2

About 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate

2-[(2S)-pyrrolidin-1-ium-2-yl]acetate (PubChem CID 7014920) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-1-ium-2-yl]acetate
PubChem CID7014920
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-[(2S)-pyrrolidin-1-ium-2-yl]acetate
SMILESO=C([O-])C[C@@H]1CCC[NH2+]1
InChIInChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKeyADSALMJPJUKESW-YFKPBYRVSA-N
XLogP-2.15
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-2.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Homoproline, (+)-
CID 2761541
(2R)-2-Pyrrolidineacetic acid
CID 5706675
2-(5-Oxopyrrolidin-2-yl)acetic acid
CID 25098
Homoproline, (A+-)-
CID 123784
Methyl 2-(pyrrolidin-2-yl)acetate
CID 5323862
Methyl (5-oxopyrrolidin-2-yl)acetate
CID 14587545
2-(Pyrrolidin-2-yl)acetic acid hydrochloride
CID 12514707
2-[(2R)-pyrrolidin-2-yl]propanoic acid
CID 118727492
tert-Butyl (pyrrolidin-2-yl)acetate
CID 21671901
(S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride
CID 2761540
methyl 2-[(2S)-pyrrolidin-2-yl]acetate hydrochloride
CID 11593534
Methyl 2-(pyrrolidin-2-yl)propanoate
CID 13778723

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate?
The IUPAC name of 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate (CID 7014920) is 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate.
What is the SMILES notation for 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate?
The canonical SMILES for 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate is O=C([O-])C[C@@H]1CCC[NH2+]1.
What is the InChIKey of 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate?
The InChIKey is ADSALMJPJUKESW-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate?
2-[(2S)-pyrrolidin-1-ium-2-yl]acetate has a molecular weight of 129.16 g/mol, XLogP of -2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-1-ium-2-yl]acetate is sourced from PubChem (CID 7014920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).