methyl (3R)-3-pyrrolidin-1-ylbutanoate

C9H17NO2 — CID 93106309

IUPACmethyl (3R)-3-pyrrolidin-1-ylbutanoate
SMILESCOC(=O)C[C@@H](C)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-8(7-9(11)12-2)10-5-3-4-6-10/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCLIFHFGCXTXFLR-MRVPVSSYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds3

About methyl (3R)-3-pyrrolidin-1-ylbutanoate

methyl (3R)-3-pyrrolidin-1-ylbutanoate (PubChem CID 93106309) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl (3R)-3-pyrrolidin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl (3R)-3-pyrrolidin-1-ylbutanoate
PubChem CID93106309
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl (3R)-3-pyrrolidin-1-ylbutanoate
SMILESCOC(=O)C[C@@H](C)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-8(7-9(11)12-2)10-5-3-4-6-10/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyCLIFHFGCXTXFLR-MRVPVSSYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(pyrrolidin-1-yl)propanoate
CID 89167
Ethyl 1-pyrrolidinepropanoate
CID 80590
Methyl 1-pyrrolidinebutanoate
CID 30905
Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate
CID 107233
1-(3-Methoxy-3-oxopropyl)-1-methylpyrrolidin-1-ium iodide
CID 89172
Ethyl 3-(1-pyrrolidinyl)butanoate
CID 24975275
3-(Pyrrolidin-1-yl)butanoic acid
CID 10774162
Methyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate
CID 89173
Methyl 3-(diethylamino)butanoate
CID 118094
Methyl 3-pyrrolidin-1-ylbutanoate
CID 10844903
methyl 3-(N,N-diisopropylamino)propionate
CID 11636953
ethyl (3S)-3-(2-oxopyrrolidin-1-yl)butanoate
CID 101731614

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-pyrrolidin-1-ylbutanoate?
The IUPAC name of methyl (3R)-3-pyrrolidin-1-ylbutanoate (CID 93106309) is methyl (3R)-3-pyrrolidin-1-ylbutanoate.
What is the SMILES notation for methyl (3R)-3-pyrrolidin-1-ylbutanoate?
The canonical SMILES for methyl (3R)-3-pyrrolidin-1-ylbutanoate is COC(=O)C[C@@H](C)N1CCCC1.
What is the InChIKey of methyl (3R)-3-pyrrolidin-1-ylbutanoate?
The InChIKey is CLIFHFGCXTXFLR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(7-9(11)12-2)10-5-3-4-6-10/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (3R)-3-pyrrolidin-1-ylbutanoate?
methyl (3R)-3-pyrrolidin-1-ylbutanoate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-pyrrolidin-1-ylbutanoate is sourced from PubChem (CID 93106309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).