2-amino-3-(4,4,4-trifluorobutylamino)propanamide

C7H14F3N3O — CID 103261924

IUPAC2-amino-3-(4,4,4-trifluorobutylamino)propanamide
SMILESNC(=O)C(N)CNCCCC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c8-7(9,10)2-1-3-13-4-5(11)6(12)14/h5,13H,1-4,11H2,(H2,12,14)
InChIKeyYTWOBPNGXAEKLG-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.27
Rot. Bonds6

About 2-amino-3-(4,4,4-trifluorobutylamino)propanamide

2-amino-3-(4,4,4-trifluorobutylamino)propanamide (PubChem CID 103261924) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-amino-3-(4,4,4-trifluorobutylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(4,4,4-trifluorobutylamino)propanamide
PubChem CID103261924
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name2-amino-3-(4,4,4-trifluorobutylamino)propanamide
SMILESNC(=O)C(N)CNCCCC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c8-7(9,10)2-1-3-13-4-5(11)6(12)14/h5,13H,1-4,11H2,(H2,12,14)
InChIKeyYTWOBPNGXAEKLG-UHFFFAOYSA-N
XLogP-0.27
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(butylamino)propanamide
CID 103232681
1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518334
4-(4,4,4-trifluorobutylamino)butanamide
CID 115513564
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
CID 103262445
2-(4,4,4-trifluorobutylamino)propanamide
CID 115513545
2-acetamido-3-(4,4,4-trifluorobutylamino)propanoic acid
CID 115518169
2-amino-3-[2-(3-hydroxypropylsulfanyl)ethylamino]propanamide
CID 106305612
4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
CID 63900234
2-amino-3-(2-methylsulfonylethylamino)propanamide
CID 103240264
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
4-methoxy-1-N-(4,4,4-trifluorobutyl)butane-1,2-diamine
CID 115520240
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,4,4-trifluorobutylamino)propanamide?
The IUPAC name of 2-amino-3-(4,4,4-trifluorobutylamino)propanamide (CID 103261924) is 2-amino-3-(4,4,4-trifluorobutylamino)propanamide.
What is the SMILES notation for 2-amino-3-(4,4,4-trifluorobutylamino)propanamide?
The canonical SMILES for 2-amino-3-(4,4,4-trifluorobutylamino)propanamide is NC(=O)C(N)CNCCCC(F)(F)F.
What is the InChIKey of 2-amino-3-(4,4,4-trifluorobutylamino)propanamide?
The InChIKey is YTWOBPNGXAEKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c8-7(9,10)2-1-3-13-4-5(11)6(12)14/h5,13H,1-4,11H2,(H2,12,14).
What are the key properties of 2-amino-3-(4,4,4-trifluorobutylamino)propanamide?
2-amino-3-(4,4,4-trifluorobutylamino)propanamide has a molecular weight of 213.20 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,4,4-trifluorobutylamino)propanamide is sourced from PubChem (CID 103261924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).