2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate

C11H25N3O3 — CID 87889467

IUPAC2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate
SMILESCCN(CC)C(=O)C(C)N.COC(=O)C(C)N
InChIInChI=1S/C7H16N2O.C4H9NO2/c1-4-9(5-2)7(10)6(3)8;1-3(5)4(6)7-2/h6H,4-5,8H2,1-3H3;3H,5H2,1-2H3
InChIKeyDZSVUVGFKJBERC-UHFFFAOYSA-N
MW247.34 g/mol
LogP-0.29
Rot. Bonds4

About 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate

2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate (PubChem CID 87889467) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate.

Molecular Properties

Compound Name2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate
PubChem CID87889467
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate
SMILESCCN(CC)C(=O)C(C)N.COC(=O)C(C)N
InChIInChI=1S/C7H16N2O.C4H9NO2/c1-4-9(5-2)7(10)6(3)8;1-3(5)4(6)7-2/h6H,4-5,8H2,1-3H3;3H,5H2,1-2H3
InChIKeyDZSVUVGFKJBERC-UHFFFAOYSA-N
XLogP-0.29
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-aminopropanoate
CID 159707893
2-amino-N-ethyl-N-(2-methylpropyl)propanamide
CID 43273810
(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
(2R)-2-amino-N-ethyl-N-(2-ethylbutyl)propanamide
CID 78972081
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpropanamide
CID 78972200
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
methyl 2-[2-aminopropanoyl(methyl)amino]propanoate
CID 18723921
(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
methyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 66561990
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate?
The IUPAC name of 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate (CID 87889467) is 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate.
What is the SMILES notation for 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate?
The canonical SMILES for 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate is CCN(CC)C(=O)C(C)N.COC(=O)C(C)N.
What is the InChIKey of 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate?
The InChIKey is DZSVUVGFKJBERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C4H9NO2/c1-4-9(5-2)7(10)6(3)8;1-3(5)4(6)7-2/h6H,4-5,8H2,1-3H3;3H,5H2,1-2H3.
What are the key properties of 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate?
2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate has a molecular weight of 247.34 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethylpropanamide;methyl 2-aminopropanoate is sourced from PubChem (CID 87889467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).