(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid

C8H11F3N2O3 — CID 18651668

IUPAC(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESC=CCN(C[C@H](N)C(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c1-2-3-13(4-5(12)6(14)15)7(16)8(9,10)11/h2,5H,1,3-4,12H2,(H,14,15)/t5-/m0/s1
InChIKeyTVHNUFCOAZKNGG-YFKPBYRVSA-N
MW240.18 g/mol
LogP-0.02
Rot. Bonds5

About (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid

(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (PubChem CID 18651668) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
PubChem CID18651668
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid
SMILESC=CCN(C[C@H](N)C(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c1-2-3-13(4-5(12)6(14)15)7(16)8(9,10)11/h2,5H,1,3-4,12H2,(H,14,15)/t5-/m0/s1
InChIKeyTVHNUFCOAZKNGG-YFKPBYRVSA-N
XLogP-0.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoate;hydrochloride
CID 139836125
(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]butanoic acid;hydrochloride
CID 140980370
2-[[1-Oxo-1-(prop-2-enylamino)propan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258845
3,3,3-Trifluoro-2-methyl-2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoic acid
CID 79791178
2-Amino-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 81318580
methyl (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoate
CID 139836126
(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 140980371
3-[[1-Oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]propanoic acid
CID 60840164
3-[[2-Oxo-2-(prop-2-enylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60840668
3-[Methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoic acid
CID 60987130
3-[Ethyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoic acid
CID 61009671
2-Amino-3-[bis(prop-2-enyl)amino]propanoic acid
CID 64581833

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid (CID 18651668) is (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is C=CCN(C[C@H](N)C(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
The InChIKey is TVHNUFCOAZKNGG-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c1-2-3-13(4-5(12)6(14)15)7(16)8(9,10)11/h2,5H,1,3-4,12H2,(H,14,15)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid?
(2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid has a molecular weight of 240.18 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[prop-2-enyl-(2,2,2-trifluoroacetyl)amino]propanoic acid is sourced from PubChem (CID 18651668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).