N-ethoxypyrrolidine-3-carboxamide

C7H14N2O2 — CID 64974765

IUPACN-ethoxypyrrolidine-3-carboxamide
SMILESCCONC(=O)C1CCNC1
InChIInChI=1S/C7H14N2O2/c1-2-11-9-7(10)6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyNCQTVDYGTYLMTQ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.34
Rot. Bonds3

About N-ethoxypyrrolidine-3-carboxamide

N-ethoxypyrrolidine-3-carboxamide (PubChem CID 64974765) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-ethoxypyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethoxypyrrolidine-3-carboxamide
PubChem CID64974765
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-ethoxypyrrolidine-3-carboxamide
SMILESCCONC(=O)C1CCNC1
InChIInChI=1S/C7H14N2O2/c1-2-11-9-7(10)6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)
InChIKeyNCQTVDYGTYLMTQ-UHFFFAOYSA-N
XLogP-0.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxypiperidine-4-carboxamide
CID 64974737
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
ethyl 4-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylate;hydrochloride
CID 119738217
2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid
CID 104867451
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
CID 83617629
N-acetylpyrrolidine-3-carboxamide
CID 69120322
ethyl pyrrolidine-3-carboperoxoate
CID 130187223
methyl pyrrolidine-3-carboxylate
CID 4114360

Frequently Asked Questions

What is the IUPAC name of N-ethoxypyrrolidine-3-carboxamide?
The IUPAC name of N-ethoxypyrrolidine-3-carboxamide (CID 64974765) is N-ethoxypyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethoxypyrrolidine-3-carboxamide?
The canonical SMILES for N-ethoxypyrrolidine-3-carboxamide is CCONC(=O)C1CCNC1.
What is the InChIKey of N-ethoxypyrrolidine-3-carboxamide?
The InChIKey is NCQTVDYGTYLMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-9-7(10)6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of N-ethoxypyrrolidine-3-carboxamide?
N-ethoxypyrrolidine-3-carboxamide has a molecular weight of 158.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxypyrrolidine-3-carboxamide is sourced from PubChem (CID 64974765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).