2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride

C19H27ClN2O3 — CID 126482939

IUPAC2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
SMILESCl.Cn1cc(C[C@@H](N)C(=O)OCCC2CCOCC2)c2ccccc21
InChIInChI=1S/C19H26N2O3.ClH/c1-21-13-15(16-4-2-3-5-18(16)21)12-17(20)19(22)24-11-8-14-6-9-23-10-7-14;/h2-5,13-14,17H,6-12,20H2,1H3;1H/t17-;/m1./s1
InChIKeyTZDLRIMABIOWAF-UNTBIKODSA-N
MW366.89 g/mol
LogP2.83
Rot. Bonds6

About 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride

2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride (PubChem CID 126482939) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Name2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
PubChem CID126482939
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
SMILESCl.Cn1cc(C[C@@H](N)C(=O)OCCC2CCOCC2)c2ccccc21
InChIInChI=1S/C19H26N2O3.ClH/c1-21-13-15(16-4-2-3-5-18(16)21)12-17(20)19(22)24-11-8-14-6-9-23-10-7-14;/h2-5,13-14,17H,6-12,20H2,1H3;1H/t17-;/m1./s1
InChIKeyTZDLRIMABIOWAF-UNTBIKODSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The IUPAC name of 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride (CID 126482939) is 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride.
What is the SMILES notation for 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The canonical SMILES for 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride is Cl.Cn1cc(C[C@@H](N)C(=O)OCCC2CCOCC2)c2ccccc21.
What is the InChIKey of 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The InChIKey is TZDLRIMABIOWAF-UNTBIKODSA-N. The full InChI is InChI=1S/C19H26N2O3.ClH/c1-21-13-15(16-4-2-3-5-18(16)21)12-17(20)19(22)24-11-8-14-6-9-23-10-7-14;/h2-5,13-14,17H,6-12,20H2,1H3;1H/t17-;/m1./s1.
What are the key properties of 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)ethyl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 126482939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).