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

C11H24N2O2 — CID 23568570

IUPAC(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide
SMILESCCOCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H24N2O2/c1-4-15-7-5-6-13-11(14)10(12)8-9(2)3/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyRHVMIEREZXPIDN-JTQLQIEISA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds8

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

(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide (PubChem CID 23568570) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide
PubChem CID23568570
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide
SMILESCCOCCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H24N2O2/c1-4-15-7-5-6-13-11(14)10(12)8-9(2)3/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyRHVMIEREZXPIDN-JTQLQIEISA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.90
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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Related Compounds

Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(alanyl-leucyl)
CID 13879946
Ac-Leu-Leu-Leu-al
CID 9864840
N-Acetyl-Leucyl-Leucinal
CID 18458068
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
(2S)-2-amino-N-[(1S)-1-formyl-3-methyl-butyl]-4-methyl-pentanamide
CID 484685
Leu-boroLeu
CID 53362663
Ac-leu-nhme
CID 6950977
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
(3R,6R)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 12206395
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide (CID 23568570) is (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide is CCOCCCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide?
The InChIKey is RHVMIEREZXPIDN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-15-7-5-6-13-11(14)10(12)8-9(2)3/h9-10H,4-8,12H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide?
(2S)-2-amino-N-(3-ethoxypropyl)-4-methylpentanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 8 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-ethoxypropyl)-4-methylpentanamide is sourced from PubChem (CID 23568570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).