N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide

C9H14N2O2 — CID 60668703

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)NC1CC1
InChIInChI=1S/C9H14N2O2/c12-8(11-7-3-4-7)5-10-9(13)6-1-2-6/h6-7H,1-5H2,(H,10,13)(H,11,12)
InChIKeyYOVKQXWQDYDSMW-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.21
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 60668703) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID60668703
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)NC1CC1
InChIInChI=1S/C9H14N2O2/c12-8(11-7-3-4-7)5-10-9(13)6-1-2-6/h6-7H,1-5H2,(H,10,13)(H,11,12)
InChIKeyYOVKQXWQDYDSMW-UHFFFAOYSA-N
XLogP-0.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide (CID 60668703) is N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide is O=C(CNC(=O)C1CC1)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is YOVKQXWQDYDSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8(11-7-3-4-7)5-10-9(13)6-1-2-6/h6-7H,1-5H2,(H,10,13)(H,11,12).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 60668703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).