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

C9H14F3N3O2 — CID 79797691

IUPAC2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCC(=O)NC1CC1)C(F)(F)F
InChIInChI=1S/C9H14F3N3O2/c1-8(13,9(10,11)12)7(17)14-4-6(16)15-5-2-3-5/h5H,2-4,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyFYBAHYKCSRDSSO-UHFFFAOYSA-N
MW253.22 g/mol
LogP-0.34
Rot. Bonds4

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

2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79797691) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79797691
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCC(=O)NC1CC1)C(F)(F)F
InChIInChI=1S/C9H14F3N3O2/c1-8(13,9(10,11)12)7(17)14-4-6(16)15-5-2-3-5/h5H,2-4,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyFYBAHYKCSRDSSO-UHFFFAOYSA-N
XLogP-0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide
CID 65264740
2-amino-2-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 60866101
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylbutanamide
CID 64684778
N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732155
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79797261
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 79797253
2-amino-3,3,3-trifluoro-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135692
2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291149
2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805040
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
N-cyclopropyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911934

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide (CID 79797691) is 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NCC(=O)NC1CC1)C(F)(F)F.
What is the InChIKey of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is FYBAHYKCSRDSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-8(13,9(10,11)12)7(17)14-4-6(16)15-5-2-3-5/h5H,2-4,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 253.22 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79797691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).