2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride

C10H20ClNO4 — CID 174742955

IUPAC2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride
SMILESCCCC(N)(CCOC(=O)CC)C(=O)O.Cl
InChIInChI=1S/C10H19NO4.ClH/c1-3-5-10(11,9(13)14)6-7-15-8(12)4-2;/h3-7,11H2,1-2H3,(H,13,14);1H
InChIKeyCWXKXLJUNYCMMF-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.33
Rot. Bonds7

About 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride

2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride (PubChem CID 174742955) has the molecular formula C10H20ClNO4 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride
PubChem CID174742955
Molecular FormulaC10H20ClNO4
Molecular Weight253.73 g/mol
Exact Mass253.11
IUPAC Name2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride
SMILESCCCC(N)(CCOC(=O)CC)C(=O)O.Cl
InChIInChI=1S/C10H19NO4.ClH/c1-3-5-10(11,9(13)14)6-7-15-8(12)4-2;/h3-7,11H2,1-2H3,(H,13,14);1H
InChIKeyCWXKXLJUNYCMMF-UHFFFAOYSA-N
XLogP1.33
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride (CID 174742955) is 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride is CCCC(N)(CCOC(=O)CC)C(=O)O.Cl.
What is the InChIKey of 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride?
The InChIKey is CWXKXLJUNYCMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4.ClH/c1-3-5-10(11,9(13)14)6-7-15-8(12)4-2;/h3-7,11H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride?
2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride has a molecular weight of 253.73 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-propanoyloxyethyl)pentanoic acid;hydrochloride is sourced from PubChem (CID 174742955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).