2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid

C7H11NO3 — CID 152861586

IUPAC2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid
SMILESC=C1C[C@@H](OCC(=O)O)CN1
InChIInChI=1S/C7H11NO3/c1-5-2-6(3-8-5)11-4-7(9)10/h6,8H,1-4H2,(H,9,10)/t6-/m1/s1
InChIKeyTXQKXECCSXUBON-ZCFIWIBFSA-N
MW157.17 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid

2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid (PubChem CID 152861586) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid
PubChem CID152861586
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid
SMILESC=C1C[C@@H](OCC(=O)O)CN1
InChIInChI=1S/C7H11NO3/c1-5-2-6(3-8-5)11-4-7(9)10/h6,8H,1-4H2,(H,9,10)/t6-/m1/s1
InChIKeyTXQKXECCSXUBON-ZCFIWIBFSA-N
XLogP-0.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
2-(1,2,3,4-tetrahydroquinolin-3-yloxy)acetamide
CID 107387372
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
2-(2,2,6,6-tetramethylpiperidin-4-yl)oxyacetic acid
CID 70186401
2-(3,3-difluorocyclobutyl)oxyacetic acid
CID 146048587
2-(4-fluorocyclohexyl)oxyacetic acid
CID 84732095
2-[1-[(5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 107530362
2-(1,5-dimethylpyrrolidin-3-yl)oxyacetic acid
CID 154536862
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
(2S,4S)-4-(carboxymethoxy)-1-methylpyrrolidine-2-carboxylic acid
CID 170367502
N-cyclopentyl-2-(1,2,3,4-tetrahydroquinolin-3-yloxy)acetamide
CID 107387448

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid (CID 152861586) is 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid is C=C1C[C@@H](OCC(=O)O)CN1.
What is the InChIKey of 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid?
The InChIKey is TXQKXECCSXUBON-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-2-6(3-8-5)11-4-7(9)10/h6,8H,1-4H2,(H,9,10)/t6-/m1/s1.
What are the key properties of 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid?
2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid has a molecular weight of 157.17 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-methylidenepyrrolidin-3-yl]oxyacetic acid is sourced from PubChem (CID 152861586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).