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

C10H22N2O2 — CID 22690994

IUPAC(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide
SMILESCOCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)7-9(11)10(13)12-5-4-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyOFMZCZSZMNYBTE-VIFPVBQESA-N
MW202.30 g/mol
LogP0.51
Rot. Bonds7

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

(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide (PubChem CID 22690994) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide
PubChem CID22690994
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide
SMILESCOCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)7-9(11)10(13)12-5-4-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m0/s1
InChIKeyOFMZCZSZMNYBTE-VIFPVBQESA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.51
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?
The IUPAC name of (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide (CID 22690994) is (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide is COCCCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide?
The InChIKey is OFMZCZSZMNYBTE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)7-9(11)10(13)12-5-4-6-14-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide?
(2S)-2-amino-N-(3-methoxypropyl)-4-methylpentanamide has a molecular weight of 202.30 g/mol, XLogP of 0.51, 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 is sourced from PubChem (CID 22690994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).