(2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide

C9H20N2O2 — CID 22690804

IUPAC(2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCOC
InChIInChI=1S/C9H20N2O2/c1-4-7(2)8(10)9(12)11-5-6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t7?,8-/m0/s1
InChIKeySGHHEAADMPCZKO-MQWKRIRWSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds6

About (2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide

(2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide (PubChem CID 22690804) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide
PubChem CID22690804
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCOC
InChIInChI=1S/C9H20N2O2/c1-4-7(2)8(10)9(12)11-5-6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t7?,8-/m0/s1
InChIKeySGHHEAADMPCZKO-MQWKRIRWSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
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-(2-methoxyethyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide (CID 22690804) is (2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCCOC.
What is the InChIKey of (2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide?
The InChIKey is SGHHEAADMPCZKO-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-7(2)8(10)9(12)11-5-6-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide?
(2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide has a molecular weight of 188.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methoxyethyl)-3-methylpentanamide is sourced from PubChem (CID 22690804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).