(2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 162323394

IUPAC(2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid
SMILESCC[C@H](N)C(=O)NCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-2-7(9)8(11)10-5-6-3-4-6;3-2(4,5)1(6)7/h6-7H,2-5,9H2,1H3,(H,10,11);(H,6,7)/t7-;/m0./s1
InChIKeyKWYQZIWXGVNARA-FJXQXJEOSA-N
MW270.25 g/mol
LogP0.88
Rot. Bonds4

About (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid

(2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid (PubChem CID 162323394) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid
PubChem CID162323394
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name(2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid
SMILESCC[C@H](N)C(=O)NCC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-2-7(9)8(11)10-5-6-3-4-6;3-2(4,5)1(6)7/h6-7H,2-5,9H2,1H3,(H,10,11);(H,6,7)/t7-;/m0./s1
InChIKeyKWYQZIWXGVNARA-FJXQXJEOSA-N
XLogP0.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid (CID 162323394) is (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid is CC[C@H](N)C(=O)NCC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid?
The InChIKey is KWYQZIWXGVNARA-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c1-2-7(9)8(11)10-5-6-3-4-6;3-2(4,5)1(6)7/h6-7H,2-5,9H2,1H3,(H,10,11);(H,6,7)/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid?
(2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyclopropylmethyl)butanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162323394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).