3-amino-3-ethylpyrrolidine-1-carboxamide

C7H15N3O — CID 163727022

IUPAC3-amino-3-ethylpyrrolidine-1-carboxamide
SMILESCCC1(N)CCN(C(N)=O)C1
InChIInChI=1S/C7H15N3O/c1-2-7(9)3-4-10(5-7)6(8)11/h2-5,9H2,1H3,(H2,8,11)
InChIKeyKWLVFRULKQWBBM-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.12
Rot. Bonds1

About 3-amino-3-ethylpyrrolidine-1-carboxamide

3-amino-3-ethylpyrrolidine-1-carboxamide (PubChem CID 163727022) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-amino-3-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-3-ethylpyrrolidine-1-carboxamide
PubChem CID163727022
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-amino-3-ethylpyrrolidine-1-carboxamide
SMILESCCC1(N)CCN(C(N)=O)C1
InChIInChI=1S/C7H15N3O/c1-2-7(9)3-4-10(5-7)6(8)11/h2-5,9H2,1H3,(H2,8,11)
InChIKeyKWLVFRULKQWBBM-UHFFFAOYSA-N
XLogP-0.12
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone
CID 165465972
(3S)-3-amino-3-butylpyrrolidine-1-carboxylic acid
CID 151882935
methyl 3-amino-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 83907145
ethyl 3-amino-3-(cyanomethyl)pyrrolidine-1-carboxylate
CID 69036454
tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
CID 129371675
methyl 3-amino-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83907147
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
2-ethylsulfonyl-2,6-diazaspiro[3.3]heptane-6-carboxamide
CID 142458772
4-hydroxy-4-propan-2-ylpiperidine-1-carboxamide
CID 118103374
ethyl 4-(3-carbamoyl-3-methylpyrrolidin-1-yl)-4-oxobutanoate
CID 114081822
butane;6-methyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 144515655
1-(4-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 131155505

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-3-ethylpyrrolidine-1-carboxamide (CID 163727022) is 3-amino-3-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-3-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-3-ethylpyrrolidine-1-carboxamide is CCC1(N)CCN(C(N)=O)C1.
What is the InChIKey of 3-amino-3-ethylpyrrolidine-1-carboxamide?
The InChIKey is KWLVFRULKQWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-7(9)3-4-10(5-7)6(8)11/h2-5,9H2,1H3,(H2,8,11).
What are the key properties of 3-amino-3-ethylpyrrolidine-1-carboxamide?
3-amino-3-ethylpyrrolidine-1-carboxamide has a molecular weight of 157.22 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 163727022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).