2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide

C12H23N3O2 — CID 76893534

IUPAC2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
SMILESCN(CC(=O)NC1CC1)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-12(2,3)10(13)11(17)15(4)7-9(16)14-8-5-6-8/h8,10H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyLMAWTLHCCPJCED-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds4

About 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide

2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide (PubChem CID 76893534) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
PubChem CID76893534
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
SMILESCN(CC(=O)NC1CC1)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-12(2,3)10(13)11(17)15(4)7-9(16)14-8-5-6-8/h8,10H,5-7,13H2,1-4H3,(H,14,16)
InChIKeyLMAWTLHCCPJCED-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 61173174
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151192
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79797261
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2S)-2-amino-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 82962535
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide
CID 76944463
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76924132

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide (CID 76893534) is 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide is CN(CC(=O)NC1CC1)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide?
The InChIKey is LMAWTLHCCPJCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)10(13)11(17)15(4)7-9(16)14-8-5-6-8/h8,10H,5-7,13H2,1-4H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide?
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 76893534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).