2-formamidoethyl pyrrolidine-2-carboxylate

C8H14N2O3 — CID 123750935

IUPAC2-formamidoethyl pyrrolidine-2-carboxylate
SMILESO=CNCCOC(=O)C1CCCN1
InChIInChI=1S/C8H14N2O3/c11-6-9-4-5-13-8(12)7-2-1-3-10-7/h6-7,10H,1-5H2,(H,9,11)
InChIKeyHASFBGGJIHCLMI-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.97
Rot. Bonds5

About 2-formamidoethyl pyrrolidine-2-carboxylate

2-formamidoethyl pyrrolidine-2-carboxylate (PubChem CID 123750935) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-formamidoethyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-formamidoethyl pyrrolidine-2-carboxylate
PubChem CID123750935
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-formamidoethyl pyrrolidine-2-carboxylate
SMILESO=CNCCOC(=O)C1CCCN1
InChIInChI=1S/C8H14N2O3/c11-6-9-4-5-13-8(12)7-2-1-3-10-7/h6-7,10H,1-5H2,(H,9,11)
InChIKeyHASFBGGJIHCLMI-UHFFFAOYSA-N
XLogP-0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-oxopentyl pyrrolidine-2-carboxylate
CID 150064601
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202899
2-trimethylsilylethyl (2S)-pyrrolidine-2-carboxylate
CID 15338392
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
propyl piperidine-2-carboxylate
CID 43248024
2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate
CID 103939543
2-[(2-methylpropan-2-yl)oxy]ethyl (2S)-pyrrolidine-2-carboxylate
CID 103939547
heptyl pyrrolidine-2-carboxylate
CID 14777077
(4-oxobutanoylamino) pyrrolidine-2-carboxylate
CID 172627054

Frequently Asked Questions

What is the IUPAC name of 2-formamidoethyl pyrrolidine-2-carboxylate?
The IUPAC name of 2-formamidoethyl pyrrolidine-2-carboxylate (CID 123750935) is 2-formamidoethyl pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-formamidoethyl pyrrolidine-2-carboxylate?
The canonical SMILES for 2-formamidoethyl pyrrolidine-2-carboxylate is O=CNCCOC(=O)C1CCCN1.
What is the InChIKey of 2-formamidoethyl pyrrolidine-2-carboxylate?
The InChIKey is HASFBGGJIHCLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c11-6-9-4-5-13-8(12)7-2-1-3-10-7/h6-7,10H,1-5H2,(H,9,11).
What are the key properties of 2-formamidoethyl pyrrolidine-2-carboxylate?
2-formamidoethyl pyrrolidine-2-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidoethyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 123750935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).