2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride

C8H17ClN2O3 — CID 88815774

IUPAC2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride
SMILESCCN(CC(=O)O)C(=O)C(C)(C)N.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-4-10(5-6(11)12)7(13)8(2,3)9;/h4-5,9H2,1-3H3,(H,11,12);1H
InChIKeyUXQJTVDRJSPDNX-UHFFFAOYSA-N
MW224.69 g/mol
LogP0.08
Rot. Bonds4

About 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride

2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride (PubChem CID 88815774) has the molecular formula C8H17ClN2O3 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride
PubChem CID88815774
Molecular FormulaC8H17ClN2O3
Molecular Weight224.69 g/mol
Exact Mass224.09
IUPAC Name2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride
SMILESCCN(CC(=O)O)C(=O)C(C)(C)N.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-4-10(5-6(11)12)7(13)8(2,3)9;/h4-5,9H2,1-3H3,(H,11,12);1H
InChIKeyUXQJTVDRJSPDNX-UHFFFAOYSA-N
XLogP0.08
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride (CID 88815774) is 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride is CCN(CC(=O)O)C(=O)C(C)(C)N.Cl.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride?
The InChIKey is UXQJTVDRJSPDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.ClH/c1-4-10(5-6(11)12)7(13)8(2,3)9;/h4-5,9H2,1-3H3,(H,11,12);1H.
What are the key properties of 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride?
2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)-ethylamino]acetic acid;hydrochloride is sourced from PubChem (CID 88815774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).