(2S)-2-amino-N-(2-ethoxyethyl)pentanamide

C9H20N2O2 — CID 107568294

IUPAC(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCCOCC
InChIInChI=1S/C9H20N2O2/c1-3-5-8(10)9(12)11-6-7-13-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyZUNWNVKXUSLVJY-QMMMGPOBSA-N
MW188.27 g/mol
LogP0.27
Rot. Bonds7

About (2S)-2-amino-N-(2-ethoxyethyl)pentanamide

(2S)-2-amino-N-(2-ethoxyethyl)pentanamide (PubChem CID 107568294) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethoxyethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
PubChem CID107568294
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCCOCC
InChIInChI=1S/C9H20N2O2/c1-3-5-8(10)9(12)11-6-7-13-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyZUNWNVKXUSLVJY-QMMMGPOBSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.27
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

2-amino-N-propylpentanamide
CID 43649977
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2S)-2-amino-N,N'-bis[2-[2-(butanoylamino)ethoxy]ethyl]pentanediamide
CID 168852497
ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770
2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 63827048
(2R)-2-amino-N-(2-cyclopentyloxyethyl)pentanamide
CID 103795665
(2S)-2,6-diamino-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 58954613
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride
CID 119290933
(2R)-2-amino-N-(2-cyclohexyloxyethyl)pentanamide
CID 98582827
2-amino-N-ethoxypentanamide
CID 64974803

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethoxyethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-ethoxyethyl)pentanamide (CID 107568294) is (2S)-2-amino-N-(2-ethoxyethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-ethoxyethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-ethoxyethyl)pentanamide is CCC[C@H](N)C(=O)NCCOCC.
What is the InChIKey of (2S)-2-amino-N-(2-ethoxyethyl)pentanamide?
The InChIKey is ZUNWNVKXUSLVJY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-5-8(10)9(12)11-6-7-13-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-ethoxyethyl)pentanamide?
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide has a molecular weight of 188.27 g/mol, XLogP of 0.27, 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-(2-ethoxyethyl)pentanamide is sourced from PubChem (CID 107568294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).