1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide

C11H23N3O2 — CID 63072374

IUPAC1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide
SMILESCCOC(CN)CCN1CCCC1C(N)=O
InChIInChI=1S/C11H23N3O2/c1-2-16-9(8-12)5-7-14-6-3-4-10(14)11(13)15/h9-10H,2-8,12H2,1H3,(H2,13,15)
InChIKeyPYZKQNHYKMVWKN-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.31
Rot. Bonds7

About 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide

1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide (PubChem CID 63072374) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide
PubChem CID63072374
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide
SMILESCCOC(CN)CCN1CCCC1C(N)=O
InChIInChI=1S/C11H23N3O2/c1-2-16-9(8-12)5-7-14-6-3-4-10(14)11(13)15/h9-10H,2-8,12H2,1H3,(H2,13,15)
InChIKeyPYZKQNHYKMVWKN-UHFFFAOYSA-N
XLogP-0.31
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-ethoxypropyl)piperidine-2-carboxamide
CID 63071979
4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine
CID 63069725
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethoxybutan-1-amine
CID 63070084
2-ethoxy-4-(2-methylpiperidin-1-yl)butan-1-amine
CID 63069690
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
1-butylpyrrolidine-2-carboxamide
CID 19388617
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-2-carboxylate
CID 115538704
2-ethoxy-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83052818
1-(4-amino-3-ethoxybutyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194932
ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
CID 82775121
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
2-ethoxy-4-pyrrolidin-1-ylbutan-1-amine
CID 63072558

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide (CID 63072374) is 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide is CCOC(CN)CCN1CCCC1C(N)=O.
What is the InChIKey of 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide?
The InChIKey is PYZKQNHYKMVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-16-9(8-12)5-7-14-6-3-4-10(14)11(13)15/h9-10H,2-8,12H2,1H3,(H2,13,15).
What are the key properties of 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide?
1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethoxybutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 63072374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).