(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide

C9H19N3O3 — CID 103794285

IUPAC(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
SMILESCC[C@H](N)C(=O)NCC(=O)NCCOC
InChIInChI=1S/C9H19N3O3/c1-3-7(10)9(14)12-6-8(13)11-4-5-15-2/h7H,3-6,10H2,1-2H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeyIEKVBASOWHVGNP-ZETCQYMHSA-N
MW217.27 g/mol
LogP-1.40
Rot. Bonds7

About (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide

(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide (PubChem CID 103794285) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
PubChem CID103794285
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
SMILESCC[C@H](N)C(=O)NCC(=O)NCCOC
InChIInChI=1S/C9H19N3O3/c1-3-7(10)9(14)12-6-8(13)11-4-5-15-2/h7H,3-6,10H2,1-2H3,(H,11,13)(H,12,14)/t7-/m0/s1
InChIKeyIEKVBASOWHVGNP-ZETCQYMHSA-N
XLogP-1.40
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
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
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
(2S)-2-amino-N-[3-(2-methoxyethoxy)propyl]butanamide
CID 79023229
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide
CID 122551407
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43649575
2-amino-3-hydroxy-N-(2-methoxyethyl)propanamide
CID 59658304
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
CID 113405165

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide (CID 103794285) is (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide is CC[C@H](N)C(=O)NCC(=O)NCCOC.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
The InChIKey is IEKVBASOWHVGNP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-7(10)9(14)12-6-8(13)11-4-5-15-2/h7H,3-6,10H2,1-2H3,(H,11,13)(H,12,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide has a molecular weight of 217.27 g/mol, XLogP of -1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 103794285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).