ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride

C11H23ClN2O3 — CID 119290933

IUPACethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride
SMILESCCCC(N)C(=O)NCCCC(=O)OCC.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-3-6-9(12)11(15)13-8-5-7-10(14)16-4-2;/h9H,3-8,12H2,1-2H3,(H,13,15);1H
InChIKeyOMGVAXZAJXZTDO-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.00
Rot. Bonds8

About ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride

ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride (PubChem CID 119290933) has the molecular formula C11H23ClN2O3 and a molecular weight of 266.77 g/mol. Its IUPAC name is ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride
PubChem CID119290933
Molecular FormulaC11H23ClN2O3
Molecular Weight266.77 g/mol
Exact Mass266.14
IUPAC Nameethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride
SMILESCCCC(N)C(=O)NCCCC(=O)OCC.Cl
InChIInChI=1S/C11H22N2O3.ClH/c1-3-6-9(12)11(15)13-8-5-7-10(14)16-4-2;/h9H,3-8,12H2,1-2H3,(H,13,15);1H
InChIKeyOMGVAXZAJXZTDO-UHFFFAOYSA-N
XLogP1.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.00
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

ethyl 2-[[(2S)-2-aminopentanoyl]amino]acetate
CID 107568770
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
ethyl 4-[[(2S)-2-amino-3-phenylpropanoyl]amino]butanoate;hydrochloride
CID 119290928
ethyl 4-(2-chloropropanoylamino)butanoate
CID 64576746
2-amino-N-propylpentanamide
CID 43649977
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride?
The IUPAC name of ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride (CID 119290933) is ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride.
What is the SMILES notation for ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride?
The canonical SMILES for ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride is CCCC(N)C(=O)NCCCC(=O)OCC.Cl.
What is the InChIKey of ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride?
The InChIKey is OMGVAXZAJXZTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.ClH/c1-3-6-9(12)11(15)13-8-5-7-10(14)16-4-2;/h9H,3-8,12H2,1-2H3,(H,13,15);1H.
What are the key properties of ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride?
ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-aminopentanoylamino)butanoate;hydrochloride is sourced from PubChem (CID 119290933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).