(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane

C12H28N2O2 — CID 142924272

IUPAC(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane
SMILESCC.COCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H22N2O2.C2H6/c1-8(2)7-9(11)10(13)12-5-4-6-14-3;1-2/h8-9H,4-7,11H2,1-3H3,(H,12,13);1-2H3/t9-;/m0./s1
InChIKeySYTPRLRTNQZMNH-FVGYRXGTSA-N
MW232.37 g/mol
LogP1.54
Rot. Bonds7

About (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane

(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane (PubChem CID 142924272) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane
PubChem CID142924272
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC Name(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane
SMILESCC.COCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H22N2O2.C2H6/c1-8(2)7-9(11)10(13)12-5-4-6-14-3;1-2/h8-9H,4-7,11H2,1-3H3,(H,12,13);1-2H3/t9-;/m0./s1
InChIKeySYTPRLRTNQZMNH-FVGYRXGTSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane?
The IUPAC name of (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane (CID 142924272) is (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane.
What is the SMILES notation for (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane?
The canonical SMILES for (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane is CC.COCCCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane?
The InChIKey is SYTPRLRTNQZMNH-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H22N2O2.C2H6/c1-8(2)7-9(11)10(13)12-5-4-6-14-3;1-2/h8-9H,4-7,11H2,1-3H3,(H,12,13);1-2H3/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane?
(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane has a molecular weight of 232.37 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide;ethane is sourced from PubChem (CID 142924272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).