N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide

C7H13N3O2 — CID 81459469

IUPACN-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C7H13N3O2/c8-1-2-9-7(12)5-3-6(11)10-4-5/h5H,1-4,8H2,(H,9,12)(H,10,11)
InChIKeyVXXKJRBXNXJMLG-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.80
Rot. Bonds3

About N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide

N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 81459469) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID81459469
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCCNC(=O)C1CNC(=O)C1
InChIInChI=1S/C7H13N3O2/c8-1-2-9-7(12)5-3-6(11)10-4-5/h5H,1-4,8H2,(H,9,12)(H,10,11)
InChIKeyVXXKJRBXNXJMLG-UHFFFAOYSA-N
XLogP-1.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-5-oxopyrrolidine-3-carboxamide
CID 81469853
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78983956
N-[3-(dimethylamino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 78983149
N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
CID 115636687
N-[2-(ethylsulfamoyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113233795
N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 81486208
N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 103842213
N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83193505
N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 115613116
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide (CID 81459469) is N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide is NCCNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VXXKJRBXNXJMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-1-2-9-7(12)5-3-6(11)10-4-5/h5H,1-4,8H2,(H,9,12)(H,10,11).
What are the key properties of N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 171.20 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 81459469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).