2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide

C9H14F3N3O2 — CID 55008888

IUPAC2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)4-15(5-1-2-5)8(17)6(13)3-7(14)16/h5-6H,1-4,13H2,(H2,14,16)
InChIKeyORRMVXZWWPCPLZ-UHFFFAOYSA-N
MW253.22 g/mol
LogP-0.26
Rot. Bonds5

About 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide

2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide (PubChem CID 55008888) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide
PubChem CID55008888
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)4-15(5-1-2-5)8(17)6(13)3-7(14)16/h5-6H,1-4,13H2,(H2,14,16)
InChIKeyORRMVXZWWPCPLZ-UHFFFAOYSA-N
XLogP-0.26
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114927967
2-amino-N-[(4-chlorophenyl)methyl]-N-cyclopropylbutanediamide
CID 60938691
2-amino-N-(1,1-dioxothiolan-3-yl)-N-ethylbutanediamide
CID 60939371
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide
CID 60947251
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 76923868
3-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835048
2-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)butanediamide
CID 54870819
1-cyclopropyl-2-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358421
2-amino-N-(cyclobutylmethyl)-N-methylbutanediamide
CID 62861520
N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116655125
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290544

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide (CID 55008888) is 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide is NC(=O)CC(N)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is ORRMVXZWWPCPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c10-9(11,12)4-15(5-1-2-5)8(17)6(13)3-7(14)16/h5-6H,1-4,13H2,(H2,14,16).
What are the key properties of 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide?
2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide has a molecular weight of 253.22 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide is sourced from PubChem (CID 55008888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).