methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride

C10H20ClNO3 — CID 53487369

IUPACmethyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride
SMILESCOC(=O)C(N)CCC1CCOCC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-13-10(12)9(11)3-2-8-4-6-14-7-5-8;/h8-9H,2-7,11H2,1H3;1H
InChIKeyWNKAMBCIEPRWFT-UHFFFAOYSA-N
MW237.73 g/mol
LogP1.12
Rot. Bonds4

About methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride

methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride (PubChem CID 53487369) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride
PubChem CID53487369
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Namemethyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride
SMILESCOC(=O)C(N)CCC1CCOCC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-13-10(12)9(11)3-2-8-4-6-14-7-5-8;/h8-9H,2-7,11H2,1H3;1H
InChIKeyWNKAMBCIEPRWFT-UHFFFAOYSA-N
XLogP1.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride?
The IUPAC name of methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride (CID 53487369) is methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride is COC(=O)C(N)CCC1CCOCC1.Cl.
What is the InChIKey of methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride?
The InChIKey is WNKAMBCIEPRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.ClH/c1-13-10(12)9(11)3-2-8-4-6-14-7-5-8;/h8-9H,2-7,11H2,1H3;1H.
What are the key properties of methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride?
methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(oxan-4-yl)butanoate;hydrochloride is sourced from PubChem (CID 53487369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).