(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide

C10H22N2O3 — CID 79023229

IUPAC(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
SMILESCC[C@H](N)C(=O)NCCCOCCOC
InChIInChI=1S/C10H22N2O3/c1-3-9(11)10(13)12-5-4-6-15-8-7-14-2/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyIDHIXTMRXITQQO-VIFPVBQESA-N
MW218.30 g/mol
LogP-0.11
Rot. Bonds9

About (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide

(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide (PubChem CID 79023229) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
PubChem CID79023229
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
SMILESCC[C@H](N)C(=O)NCCCOCCOC
InChIInChI=1S/C10H22N2O3/c1-3-9(11)10(13)12-5-4-6-15-8-7-14-2/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyIDHIXTMRXITQQO-VIFPVBQESA-N
XLogP-0.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
2-amino-N-[4-(2-methoxyethoxy)butyl]hexanamide
CID 115753308
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
CID 138616287
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-4,4-dimethylpentanamide
CID 107471842
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide
CID 122551407
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
2-amino-N'-[2-(2-aminoethylamino)ethyl]-N-[3-(2-methoxyethoxy)propyl]pentanediamide
CID 155773621

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide (CID 79023229) is (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide is CC[C@H](N)C(=O)NCCCOCCOC.
What is the InChIKey of (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide?
The InChIKey is IDHIXTMRXITQQO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-9(11)10(13)12-5-4-6-15-8-7-14-2/h9H,3-8,11H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide?
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide has a molecular weight of 218.30 g/mol, XLogP of -0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide is sourced from PubChem (CID 79023229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).