3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide

C9H17N3O2 — CID 60700103

IUPAC3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCN(CCC(N)=O)CC(=O)NC1CC1
InChIInChI=1S/C9H17N3O2/c1-12(5-4-8(10)13)6-9(14)11-7-2-3-7/h7H,2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyKQHVCEHKPQMSEN-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.93
Rot. Bonds6

About 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide

3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 60700103) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
PubChem CID60700103
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
SMILESCN(CCC(N)=O)CC(=O)NC1CC1
InChIInChI=1S/C9H17N3O2/c1-12(5-4-8(10)13)6-9(14)11-7-2-3-7/h7H,2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyKQHVCEHKPQMSEN-UHFFFAOYSA-N
XLogP-0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
CID 43186296
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
2-[2-(2-aminoethoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 103482248
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
CID 60730257
N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 55002666
2-[cyclopropylcarbamoyl(methyl)amino]acetamide
CID 115583065
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002
N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940
4-[methyl-[2-(oxan-4-ylamino)-2-oxoethyl]amino]butanoic acid
CID 63097843

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide (CID 60700103) is 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide is CN(CCC(N)=O)CC(=O)NC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is KQHVCEHKPQMSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-12(5-4-8(10)13)6-9(14)11-7-2-3-7/h7H,2-6H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide?
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 60700103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).