(2S)-4-methyl-2-(prop-2-enoylamino)pentanamide

C9H16N2O2 — CID 54552769

IUPAC(2S)-4-methyl-2-(prop-2-enoylamino)pentanamide
SMILESC=CC(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-4-8(12)11-7(9(10)13)5-6(2)3/h4,6-7H,1,5H2,2-3H3,(H2,10,13)(H,11,12)/t7-/m0/s1
InChIKeyZLBRQUHAKFLEEH-ZETCQYMHSA-N
MW184.24 g/mol
LogP0.19
Rot. Bonds5

About (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide

(2S)-4-methyl-2-(prop-2-enoylamino)pentanamide (PubChem CID 54552769) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-(prop-2-enoylamino)pentanamide
PubChem CID54552769
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-4-methyl-2-(prop-2-enoylamino)pentanamide
SMILESC=CC(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C9H16N2O2/c1-4-8(12)11-7(9(10)13)5-6(2)3/h4,6-7H,1,5H2,2-3H3,(H2,10,13)(H,11,12)/t7-/m0/s1
InChIKeyZLBRQUHAKFLEEH-ZETCQYMHSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide?
The IUPAC name of (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide (CID 54552769) is (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide?
The canonical SMILES for (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide is C=CC(=O)N[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide?
The InChIKey is ZLBRQUHAKFLEEH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8(12)11-7(9(10)13)5-6(2)3/h4,6-7H,1,5H2,2-3H3,(H2,10,13)(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide?
(2S)-4-methyl-2-(prop-2-enoylamino)pentanamide has a molecular weight of 184.24 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(prop-2-enoylamino)pentanamide is sourced from PubChem (CID 54552769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).