3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride

C9H20ClNO2 — CID 134691764

IUPAC3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride
SMILESCCCC(C)N(C)CCC(=O)O.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-5-8(2)10(3)7-6-9(11)12;/h8H,4-7H2,1-3H3,(H,11,12);1H
InChIKeyDKFCVQPOMQSACT-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.00
Rot. Bonds6

About 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride

3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride (PubChem CID 134691764) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride
PubChem CID134691764
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Name3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride
SMILESCCCC(C)N(C)CCC(=O)O.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-4-5-8(2)10(3)7-6-9(11)12;/h8H,4-7H2,1-3H3,(H,11,12);1H
InChIKeyDKFCVQPOMQSACT-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride?
The IUPAC name of 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride (CID 134691764) is 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride is CCCC(C)N(C)CCC(=O)O.Cl.
What is the InChIKey of 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride?
The InChIKey is DKFCVQPOMQSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-4-5-8(2)10(3)7-6-9(11)12;/h8H,4-7H2,1-3H3,(H,11,12);1H.
What are the key properties of 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride?
3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentan-2-yl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 134691764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).