acetic acid;methyl 2-pyrrolidin-3-ylacetate

C9H17NO4 — CID 70009063

IUPACacetic acid;methyl 2-pyrrolidin-3-ylacetate
SMILESCC(=O)O.COC(=O)CC1CCNC1
InChIInChI=1S/C7H13NO2.C2H4O2/c1-10-7(9)4-6-2-3-8-5-6;1-2(3)4/h6,8H,2-5H2,1H3;1H3,(H,3,4)
InChIKeyLBQYFSAISGUYAL-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.25
Rot. Bonds2

About acetic acid;methyl 2-pyrrolidin-3-ylacetate

acetic acid;methyl 2-pyrrolidin-3-ylacetate (PubChem CID 70009063) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is acetic acid;methyl 2-pyrrolidin-3-ylacetate.

Molecular Properties

Compound Nameacetic acid;methyl 2-pyrrolidin-3-ylacetate
PubChem CID70009063
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameacetic acid;methyl 2-pyrrolidin-3-ylacetate
SMILESCC(=O)O.COC(=O)CC1CCNC1
InChIInChI=1S/C7H13NO2.C2H4O2/c1-10-7(9)4-6-2-3-8-5-6;1-2(3)4/h6,8H,2-5H2,1H3;1H3,(H,3,4)
InChIKeyLBQYFSAISGUYAL-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
acetyl 2-pyrrolidin-3-ylacetate
CID 57229182
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
methyl 2-(3-ethylpiperidin-4-yl)acetate
CID 57098006
methyl pyrrolidin-3-ylmethyl carbonate
CID 79337934
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate
CID 175435501
methyl 2-pyrrolidin-3-ylsulfanylacetate
CID 62327248
ethyl 2-[[(3S)-pyrrolidin-3-yl]methylamino]acetate;dihydrochloride
CID 86598225
N-(2-methylpropoxy)-2-pyrrolidin-3-ylacetamide
CID 82721934
methyl 2-cyclopentylacetate;hydrochloride
CID 174509285

Frequently Asked Questions

What is the IUPAC name of acetic acid;methyl 2-pyrrolidin-3-ylacetate?
The IUPAC name of acetic acid;methyl 2-pyrrolidin-3-ylacetate (CID 70009063) is acetic acid;methyl 2-pyrrolidin-3-ylacetate.
What is the SMILES notation for acetic acid;methyl 2-pyrrolidin-3-ylacetate?
The canonical SMILES for acetic acid;methyl 2-pyrrolidin-3-ylacetate is CC(=O)O.COC(=O)CC1CCNC1.
What is the InChIKey of acetic acid;methyl 2-pyrrolidin-3-ylacetate?
The InChIKey is LBQYFSAISGUYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H4O2/c1-10-7(9)4-6-2-3-8-5-6;1-2(3)4/h6,8H,2-5H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;methyl 2-pyrrolidin-3-ylacetate?
acetic acid;methyl 2-pyrrolidin-3-ylacetate has a molecular weight of 203.24 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methyl 2-pyrrolidin-3-ylacetate is sourced from PubChem (CID 70009063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).