(2S)-2-(but-1-en-2-ylamino)butanamide

C8H16N2O — CID 139335639

IUPAC(2S)-2-(but-1-en-2-ylamino)butanamide
SMILESC=C(CC)N[C@@H](CC)C(N)=O
InChIInChI=1S/C8H16N2O/c1-4-6(3)10-7(5-2)8(9)11/h7,10H,3-5H2,1-2H3,(H2,9,11)/t7-/m0/s1
InChIKeyZNXNKQATEGVGHC-ZETCQYMHSA-N
MW156.23 g/mol
LogP0.76
Rot. Bonds5

About (2S)-2-(but-1-en-2-ylamino)butanamide

(2S)-2-(but-1-en-2-ylamino)butanamide (PubChem CID 139335639) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (2S)-2-(but-1-en-2-ylamino)butanamide.

Molecular Properties

Compound Name(2S)-2-(but-1-en-2-ylamino)butanamide
PubChem CID139335639
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(2S)-2-(but-1-en-2-ylamino)butanamide
SMILESC=C(CC)N[C@@H](CC)C(N)=O
InChIInChI=1S/C8H16N2O/c1-4-6(3)10-7(5-2)8(9)11/h7,10H,3-5H2,1-2H3,(H2,9,11)/t7-/m0/s1
InChIKeyZNXNKQATEGVGHC-ZETCQYMHSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(but-1-en-2-ylamino)butanamide?
The IUPAC name of (2S)-2-(but-1-en-2-ylamino)butanamide (CID 139335639) is (2S)-2-(but-1-en-2-ylamino)butanamide.
What is the SMILES notation for (2S)-2-(but-1-en-2-ylamino)butanamide?
The canonical SMILES for (2S)-2-(but-1-en-2-ylamino)butanamide is C=C(CC)N[C@@H](CC)C(N)=O.
What is the InChIKey of (2S)-2-(but-1-en-2-ylamino)butanamide?
The InChIKey is ZNXNKQATEGVGHC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-6(3)10-7(5-2)8(9)11/h7,10H,3-5H2,1-2H3,(H2,9,11)/t7-/m0/s1.
What are the key properties of (2S)-2-(but-1-en-2-ylamino)butanamide?
(2S)-2-(but-1-en-2-ylamino)butanamide has a molecular weight of 156.23 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(but-1-en-2-ylamino)butanamide is sourced from PubChem (CID 139335639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).