2-amino-N-(3,3,3-trifluoropropyl)butanediamide

C7H12F3N3O2 — CID 63227148

IUPAC2-amino-N-(3,3,3-trifluoropropyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2/c8-7(9,10)1-2-13-6(15)4(11)3-5(12)14/h4H,1-3,11H2,(H2,12,14)(H,13,15)
InChIKeyZYEXBUKZXNSLCV-UHFFFAOYSA-N
MW227.19 g/mol
LogP-0.74
Rot. Bonds5

About 2-amino-N-(3,3,3-trifluoropropyl)butanediamide

2-amino-N-(3,3,3-trifluoropropyl)butanediamide (PubChem CID 63227148) has the molecular formula C7H12F3N3O2 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-amino-N-(3,3,3-trifluoropropyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(3,3,3-trifluoropropyl)butanediamide
PubChem CID63227148
Molecular FormulaC7H12F3N3O2
Molecular Weight227.19 g/mol
Exact Mass227.09
IUPAC Name2-amino-N-(3,3,3-trifluoropropyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C7H12F3N3O2/c8-7(9,10)1-2-13-6(15)4(11)3-5(12)14/h4H,1-3,11H2,(H2,12,14)(H,13,15)
InChIKeyZYEXBUKZXNSLCV-UHFFFAOYSA-N
XLogP-0.74
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-acetamido-N-(3,3,3-trifluoro-1-methyl-2-oxo-propyl)butanediamide
CID 10590079
7-(Trifluoromethyl)-1,4-diazepan-5-one
CID 45791404
N-methyl-dl-aspartic acid diamide
CID 15926491
N-Acetyl-L-asparagine methylamide
CID 57939456
Ethyl aspartamide
CID 87319085
2,2,2-Trifluoro-n-(2-oxo-pyrrolidin-3-yl)-acetamide
CID 10535860
2,2,2-trifluoro-N-[(3R)-2-oxopyrrolidin-3-yl]acetamide
CID 10845537
2,2,2-trifluoro-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 20645447
2-acetamido-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide
CID 20687778
2-amino-N-(2,2,2-trifluoroethyl)butanamide
CID 43649481
2-amino-N-(4-amino-1,3,3-trifluorobutan-2-yl)acetamide
CID 54208340
2-amino-N-(4-amino-1,1-difluorobutan-2-yl)acetamide
CID 54323555

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,3,3-trifluoropropyl)butanediamide?
The IUPAC name of 2-amino-N-(3,3,3-trifluoropropyl)butanediamide (CID 63227148) is 2-amino-N-(3,3,3-trifluoropropyl)butanediamide.
What is the SMILES notation for 2-amino-N-(3,3,3-trifluoropropyl)butanediamide?
The canonical SMILES for 2-amino-N-(3,3,3-trifluoropropyl)butanediamide is NC(=O)CC(N)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-amino-N-(3,3,3-trifluoropropyl)butanediamide?
The InChIKey is ZYEXBUKZXNSLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O2/c8-7(9,10)1-2-13-6(15)4(11)3-5(12)14/h4H,1-3,11H2,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(3,3,3-trifluoropropyl)butanediamide?
2-amino-N-(3,3,3-trifluoropropyl)butanediamide has a molecular weight of 227.19 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,3,3-trifluoropropyl)butanediamide is sourced from PubChem (CID 63227148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).