propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate

C10H19NO3 — CID 106939416

IUPACpropan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate
SMILESCC(C)OC(=O)COCC1CCCN1
InChIInChI=1S/C10H19NO3/c1-8(2)14-10(12)7-13-6-9-4-3-5-11-9/h8-9,11H,3-7H2,1-2H3
InChIKeyJFEQDGNKBGDNSC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds5

About propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate

propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate (PubChem CID 106939416) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate
PubChem CID106939416
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namepropan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate
SMILESCC(C)OC(=O)COCC1CCCN1
InChIInChI=1S/C10H19NO3/c1-8(2)14-10(12)7-13-6-9-4-3-5-11-9/h8-9,11H,3-7H2,1-2H3
InChIKeyJFEQDGNKBGDNSC-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(pyrrolidin-2-ylmethoxy)acetate
CID 106939447
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
propan-2-yl N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)carbamate
CID 106599450
N-prop-2-ynyl-2-(pyrrolidin-2-ylmethoxy)acetamide
CID 62333238
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
2-(2-methylprop-2-enoxymethyl)piperidine
CID 62339397
propan-2-yl 2-(2-cyclopropylethoxy)acetate
CID 106199281
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
N-(cyclopropylmethyl)-2-(piperidin-2-ylmethoxy)acetamide
CID 62339401
(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 59651686

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate?
The IUPAC name of propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate (CID 106939416) is propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate.
What is the SMILES notation for propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate?
The canonical SMILES for propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate is CC(C)OC(=O)COCC1CCCN1.
What is the InChIKey of propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate?
The InChIKey is JFEQDGNKBGDNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)14-10(12)7-13-6-9-4-3-5-11-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate?
propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(pyrrolidin-2-ylmethoxy)acetate is sourced from PubChem (CID 106939416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).