ethyl 1-propanoylpyrrolidine-2-carboxylate

C10H17NO3 — CID 11845503

IUPACethyl 1-propanoylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CC
InChIInChI=1S/C10H17NO3/c1-3-9(12)11-7-5-6-8(11)10(13)14-4-2/h8H,3-7H2,1-2H3
InChIKeyHKIFCYJNDQNWKV-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.95
Rot. Bonds3

About ethyl 1-propanoylpyrrolidine-2-carboxylate

ethyl 1-propanoylpyrrolidine-2-carboxylate (PubChem CID 11845503) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 1-propanoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-propanoylpyrrolidine-2-carboxylate
PubChem CID11845503
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 1-propanoylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CC
InChIInChI=1S/C10H17NO3/c1-3-9(12)11-7-5-6-8(11)10(13)14-4-2/h8H,3-7H2,1-2H3
InChIKeyHKIFCYJNDQNWKV-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
ethyl 1-(3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 114875756
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl 1-(2-methoxy-2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 103021763
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 55096838
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propanoylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-propanoylpyrrolidine-2-carboxylate (CID 11845503) is ethyl 1-propanoylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-propanoylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-propanoylpyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)CC.
What is the InChIKey of ethyl 1-propanoylpyrrolidine-2-carboxylate?
The InChIKey is HKIFCYJNDQNWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-9(12)11-7-5-6-8(11)10(13)14-4-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 1-propanoylpyrrolidine-2-carboxylate?
ethyl 1-propanoylpyrrolidine-2-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propanoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 11845503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).