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

C10H18N2O2 — CID 54413579

IUPAC(2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-6(2)5-8(9(11)13)12-10(14)7(3)4/h6,8H,3,5H2,1-2,4H3,(H2,11,13)(H,12,14)/t8-/m0/s1
InChIKeyVVVDCVWQZPCHPL-QMMMGPOBSA-N
MW198.27 g/mol
LogP0.58
Rot. Bonds5

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

(2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide (PubChem CID 54413579) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
PubChem CID54413579
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide
SMILESC=C(C)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIInChI=1S/C10H18N2O2/c1-6(2)5-8(9(11)13)12-10(14)7(3)4/h6,8H,3,5H2,1-2,4H3,(H2,11,13)(H,12,14)/t8-/m0/s1
InChIKeyVVVDCVWQZPCHPL-QMMMGPOBSA-N
XLogP0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.58
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-(2-methylprop-2-enoylamino)pentanamide?
The IUPAC name of (2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide (CID 54413579) is (2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
The canonical SMILES for (2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide is C=C(C)C(=O)N[C@@H](CC(C)C)C(N)=O.
What is the InChIKey of (2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
The InChIKey is VVVDCVWQZPCHPL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-6(2)5-8(9(11)13)12-10(14)7(3)4/h6,8H,3,5H2,1-2,4H3,(H2,11,13)(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide?
(2S)-4-methyl-2-(2-methylprop-2-enoylamino)pentanamide has a molecular weight of 198.27 g/mol, XLogP of 0.58, 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-(2-methylprop-2-enoylamino)pentanamide is sourced from PubChem (CID 54413579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).