2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

C12H25ClN2O4 — CID 119912838

IUPAC2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCCCCOCCNC(=O)CN(C)C(C)C(=O)O.Cl
InChIInChI=1S/C12H24N2O4.ClH/c1-4-5-7-18-8-6-13-11(15)9-14(3)10(2)12(16)17;/h10H,4-9H2,1-3H3,(H,13,15)(H,16,17);1H
InChIKeyKYALVBPZHBJCMH-UHFFFAOYSA-N
MW296.80 g/mol
LogP0.75
Rot. Bonds10

About 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride

2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (PubChem CID 119912838) has the molecular formula C12H25ClN2O4 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
PubChem CID119912838
Molecular FormulaC12H25ClN2O4
Molecular Weight296.80 g/mol
Exact Mass296.15
IUPAC Name2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
SMILESCCCCOCCNC(=O)CN(C)C(C)C(=O)O.Cl
InChIInChI=1S/C12H24N2O4.ClH/c1-4-5-7-18-8-6-13-11(15)9-14(3)10(2)12(16)17;/h10H,4-9H2,1-3H3,(H,13,15)(H,16,17);1H
InChIKeyKYALVBPZHBJCMH-UHFFFAOYSA-N
XLogP0.75
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 50.75
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

N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2-butoxyethylamino)-2-oxoethyl]amino]acetic acid
CID 23524479
N-(2-methoxyethyl)-2-[methyl(3-oxopentan-2-yl)amino]acetamide
CID 64866282
2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
CID 156820627
2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913153
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 170362074
2-[[2-(2-cyclohexylethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913482
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
2-bromo-N-(2-butoxyethyl)propanamide
CID 107904787
N-(2-butoxyethyl)-2-chloropropanamide
CID 61177206
N-(2-butoxyethyl)-2-(methylamino)acetamide
CID 61175686
N-[2-(2-heptoxyethoxy)ethyl]propanamide
CID 154643004

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride (CID 119912838) is 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is CCCCOCCNC(=O)CN(C)C(C)C(=O)O.Cl.
What is the InChIKey of 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
The InChIKey is KYALVBPZHBJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4.ClH/c1-4-5-7-18-8-6-13-11(15)9-14(3)10(2)12(16)17;/h10H,4-9H2,1-3H3,(H,13,15)(H,16,17);1H.
What are the key properties of 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride?
2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 0.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-butoxyethylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 119912838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).