(2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide

C12H26N2O3 — CID 139834314

IUPAC(2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide
SMILESCC[C@H](N[C@@H](CC(C)C)C(N)=O)C(OC)OC
InChIInChI=1S/C12H26N2O3/c1-6-9(12(16-4)17-5)14-10(11(13)15)7-8(2)3/h8-10,12,14H,6-7H2,1-5H3,(H2,13,15)/t9-,10-/m0/s1
InChIKeyLVEIQHDQAZYTTA-UWVGGRQHSA-N
MW246.35 g/mol
LogP0.87
Rot. Bonds9

About (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide

(2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide (PubChem CID 139834314) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide
PubChem CID139834314
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name(2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide
SMILESCC[C@H](N[C@@H](CC(C)C)C(N)=O)C(OC)OC
InChIInChI=1S/C12H26N2O3/c1-6-9(12(16-4)17-5)14-10(11(13)15)7-8(2)3/h8-10,12,14H,6-7H2,1-5H3,(H2,13,15)/t9-,10-/m0/s1
InChIKeyLVEIQHDQAZYTTA-UWVGGRQHSA-N
XLogP0.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide?
The IUPAC name of (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide (CID 139834314) is (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide?
The canonical SMILES for (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide is CC[C@H](N[C@@H](CC(C)C)C(N)=O)C(OC)OC.
What is the InChIKey of (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide?
The InChIKey is LVEIQHDQAZYTTA-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-6-9(12(16-4)17-5)14-10(11(13)15)7-8(2)3/h8-10,12,14H,6-7H2,1-5H3,(H2,13,15)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide?
(2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide has a molecular weight of 246.35 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-1,1-dimethoxybutan-2-yl]amino]-4-methylpentanamide is sourced from PubChem (CID 139834314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).