propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride

C15H21ClN2O2 — CID 126482895

IUPACpropan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
SMILESCC(C)OC(=O)[C@H](N)Cc1cn(C)c2ccccc12.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-10(2)19-15(18)13(16)8-11-9-17(3)14-7-5-4-6-12(11)14;/h4-7,9-10,13H,8,16H2,1-3H3;1H/t13-;/m1./s1
InChIKeySNYZUMLXSTYVPU-BTQNPOSSSA-N
MW296.80 g/mol
LogP2.42
Rot. Bonds4

About propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride

propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride (PubChem CID 126482895) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
PubChem CID126482895
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Namepropan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
SMILESCC(C)OC(=O)[C@H](N)Cc1cn(C)c2ccccc12.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-10(2)19-15(18)13(16)8-11-9-17(3)14-7-5-4-6-12(11)14;/h4-7,9-10,13H,8,16H2,1-3H3;1H/t13-;/m1./s1
InChIKeySNYZUMLXSTYVPU-BTQNPOSSSA-N
XLogP2.42
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The IUPAC name of propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride (CID 126482895) is propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride.
What is the SMILES notation for propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The canonical SMILES for propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride is CC(C)OC(=O)[C@H](N)Cc1cn(C)c2ccccc12.Cl.
What is the InChIKey of propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
The InChIKey is SNYZUMLXSTYVPU-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-10(2)19-15(18)13(16)8-11-9-17(3)14-7-5-4-6-12(11)14;/h4-7,9-10,13H,8,16H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride?
propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride is sourced from PubChem (CID 126482895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).