methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate

C7H13NO3 — CID 34180571

IUPACmethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
SMILESCOC(=O)CO[C@H]1CCNC1
InChIInChI=1S/C7H13NO3/c1-10-7(9)5-11-6-2-3-8-4-6/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyCNRMSXVAIYXYCE-LURJTMIESA-N
MW159.18 g/mol
LogP-0.46
Rot. Bonds3

About methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate

methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate (PubChem CID 34180571) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
PubChem CID34180571
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
SMILESCOC(=O)CO[C@H]1CCNC1
InChIInChI=1S/C7H13NO3/c1-10-7(9)5-11-6-2-3-8-4-6/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyCNRMSXVAIYXYCE-LURJTMIESA-N
XLogP-0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
CID 126620309
2-[(3S)-pyrrolidin-3-yl]oxyacetamide
CID 94401198
N-propan-2-yl-2-pyrrolidin-3-yloxyacetamide
CID 62327224
N,N-diethyl-2-pyrrolidin-3-yloxyacetamide
CID 62327394
N-ethyl-N-methyl-2-pyrrolidin-3-yloxyacetamide
CID 62327910
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
methyl 2-[methyl-(2-piperidin-4-yloxyacetyl)amino]acetate
CID 55250902
1-pyrrolidin-1-yl-2-pyrrolidin-3-yloxyethanone
CID 62327566
pyrrolidin-3-yl propanoate
CID 53409832
3-(2-chloroprop-2-enoxy)pyrrolidine
CID 62328785
N-methoxy-2-piperidin-4-yloxyacetamide
CID 64975041

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate?
The IUPAC name of methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate (CID 34180571) is methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate is COC(=O)CO[C@H]1CCNC1.
What is the InChIKey of methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate?
The InChIKey is CNRMSXVAIYXYCE-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-7(9)5-11-6-2-3-8-4-6/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate?
methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate has a molecular weight of 159.18 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate is sourced from PubChem (CID 34180571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).