(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide

C9H20N2O3 — CID 79023015

IUPAC(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NCCOCCOC
InChIInChI=1S/C9H20N2O3/c1-3-8(10)9(12)11-4-5-14-7-6-13-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyUAJGNTCZNQTIQA-QMMMGPOBSA-N
MW204.27 g/mol
LogP-0.50
Rot. Bonds8

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

(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide (PubChem CID 79023015) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
PubChem CID79023015
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NCCOCCOC
InChIInChI=1S/C9H20N2O3/c1-3-8(10)9(12)11-4-5-14-7-6-13-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyUAJGNTCZNQTIQA-QMMMGPOBSA-N
XLogP-0.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.50
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-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide
CID 122551407
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide (CID 79023015) is (2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide is CC[C@H](N)C(=O)NCCOCCOC.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide?
The InChIKey is UAJGNTCZNQTIQA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-3-8(10)9(12)11-4-5-14-7-6-13-2/h8H,3-7,10H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide?
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide has a molecular weight of 204.27 g/mol, XLogP of -0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide is sourced from PubChem (CID 79023015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).