(2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide

C7H13FN2O — CID 11182770

IUPAC(2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide
SMILESC=C(F)C[C@](C)(N)C(=O)NC
InChIInChI=1S/C7H13FN2O/c1-5(8)4-7(2,9)6(11)10-3/h1,4,9H2,2-3H3,(H,10,11)/t7-/m0/s1
InChIKeyNJMDZGUJNPNMGU-ZETCQYMHSA-N
MW160.19 g/mol
LogP0.32
Rot. Bonds3

About (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide

(2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide (PubChem CID 11182770) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide.

Molecular Properties

Compound Name(2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide
PubChem CID11182770
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide
SMILESC=C(F)C[C@](C)(N)C(=O)NC
InChIInChI=1S/C7H13FN2O/c1-5(8)4-7(2,9)6(11)10-3/h1,4,9H2,2-3H3,(H,10,11)/t7-/m0/s1
InChIKeyNJMDZGUJNPNMGU-ZETCQYMHSA-N
XLogP0.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide?
The IUPAC name of (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide (CID 11182770) is (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide.
What is the SMILES notation for (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide?
The canonical SMILES for (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide is C=C(F)C[C@](C)(N)C(=O)NC.
What is the InChIKey of (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide?
The InChIKey is NJMDZGUJNPNMGU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-5(8)4-7(2,9)6(11)10-3/h1,4,9H2,2-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide?
(2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide has a molecular weight of 160.19 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-fluoro-N,2-dimethylpent-4-enamide is sourced from PubChem (CID 11182770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).