(2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide

C15H28N2O2 — CID 87084235

IUPAC(2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide
SMILESC=C(C)C(=O)N[C@H](C(=O)NC(CC)CC)[C@@H](C)CC
InChIInChI=1S/C15H28N2O2/c1-7-11(6)13(17-14(18)10(4)5)15(19)16-12(8-2)9-3/h11-13H,4,7-9H2,1-3,5-6H3,(H,16,19)(H,17,18)/t11-,13-/m0/s1
InChIKeyZNZMAAGQHSXCAC-AAEUAGOBSA-N
MW268.40 g/mol
LogP2.40
Rot. Bonds8

About (2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide

(2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide (PubChem CID 87084235) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide
PubChem CID87084235
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide
SMILESC=C(C)C(=O)N[C@H](C(=O)NC(CC)CC)[C@@H](C)CC
InChIInChI=1S/C15H28N2O2/c1-7-11(6)13(17-14(18)10(4)5)15(19)16-12(8-2)9-3/h11-13H,4,7-9H2,1-3,5-6H3,(H,16,19)(H,17,18)/t11-,13-/m0/s1
InChIKeyZNZMAAGQHSXCAC-AAEUAGOBSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.40
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,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide?
The IUPAC name of (2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide (CID 87084235) is (2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide.
What is the SMILES notation for (2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide?
The canonical SMILES for (2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide is C=C(C)C(=O)N[C@H](C(=O)NC(CC)CC)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide?
The InChIKey is ZNZMAAGQHSXCAC-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-11(6)13(17-14(18)10(4)5)15(19)16-12(8-2)9-3/h11-13H,4,7-9H2,1-3,5-6H3,(H,16,19)(H,17,18)/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide?
(2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(2-methylprop-2-enoylamino)-N-pentan-3-ylpentanamide is sourced from PubChem (CID 87084235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).