(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride

C11H24ClN3O3 — CID 119695009

IUPAC(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCOCCNC(=O)CNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C11H23N3O3.ClH/c1-8(2)6-9(12)11(16)14-7-10(15)13-4-5-17-3;/h8-9H,4-7,12H2,1-3H3,(H,13,15)(H,14,16);1H/t9-;/m0./s1
InChIKeyLALKLJPVORMPJK-FVGYRXGTSA-N
MW281.78 g/mol
LogP-0.34
Rot. Bonds8

About (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride (PubChem CID 119695009) has the molecular formula C11H24ClN3O3 and a molecular weight of 281.78 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
PubChem CID119695009
Molecular FormulaC11H24ClN3O3
Molecular Weight281.78 g/mol
Exact Mass281.15
IUPAC Name(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
SMILESCOCCNC(=O)CNC(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C11H23N3O3.ClH/c1-8(2)6-9(12)11(16)14-7-10(15)13-4-5-17-3;/h8-9H,4-7,12H2,1-3H3,(H,13,15)(H,14,16);1H/t9-;/m0./s1
InChIKeyLALKLJPVORMPJK-FVGYRXGTSA-N
XLogP-0.34
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 5-0.34
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

(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-amino-3-hydroxy-N-(2-methoxyethyl)propanamide
CID 59658304
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride (CID 119695009) is (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride is COCCNC(=O)CNC(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride?
The InChIKey is LALKLJPVORMPJK-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H23N3O3.ClH/c1-8(2)6-9(12)11(16)14-7-10(15)13-4-5-17-3;/h8-9H,4-7,12H2,1-3H3,(H,13,15)(H,14,16);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of -0.34, 8 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]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119695009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).