2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride

C8H18ClNO2 — CID 75480651

IUPAC2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride
SMILESCCC(C)(C)NC(C)C(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-5-8(3,4)9-6(2)7(10)11;/h6,9H,5H2,1-4H3,(H,10,11);1H
InChIKeyUFLKEGKARUGHBN-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.66
Rot. Bonds4

About 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride

2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride (PubChem CID 75480651) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride
PubChem CID75480651
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride
SMILESCCC(C)(C)NC(C)C(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-5-8(3,4)9-6(2)7(10)11;/h6,9H,5H2,1-4H3,(H,10,11);1H
InChIKeyUFLKEGKARUGHBN-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride?
The IUPAC name of 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride (CID 75480651) is 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride?
The canonical SMILES for 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride is CCC(C)(C)NC(C)C(=O)O.Cl.
What is the InChIKey of 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride?
The InChIKey is UFLKEGKARUGHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-5-8(3,4)9-6(2)7(10)11;/h6,9H,5H2,1-4H3,(H,10,11);1H.
What are the key properties of 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride?
2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-ylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 75480651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).