methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate

C10H17NO4 — CID 62590989

IUPACmethyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
SMILESCOCCC(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-14-7-5-9(12)11-6-3-4-8(11)10(13)15-2/h8H,3-7H2,1-2H3
InChIKeyIDHVUUMVPCEGLE-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.19
Rot. Bonds4

About methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate

methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate (PubChem CID 62590989) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
PubChem CID62590989
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
SMILESCOCCC(=O)N1CCCC1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-14-7-5-9(12)11-6-3-4-8(11)10(13)15-2/h8H,3-7H2,1-2H3
InChIKeyIDHVUUMVPCEGLE-UHFFFAOYSA-N
XLogP0.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
tert-butyl (2S)-1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 81003896
methyl 1-(4-ethoxybutanoyl)pyrrolidine-2-carboxylate
CID 112729164
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
methyl 1-(6-amino-4,4-dimethylhexanoyl)pyrrolidine-2-carboxylate
CID 65290339
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
CID 79200751
3-methoxy-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 98758074
methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 61094210

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate (CID 62590989) is methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate is COCCC(=O)N1CCCC1C(=O)OC.
What is the InChIKey of methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is IDHVUUMVPCEGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-7-5-9(12)11-6-3-4-8(11)10(13)15-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate?
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62590989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).