2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride

C14H19ClN2O2 — CID 158407145

IUPAC2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride
SMILESCC(C)c1ccc2c(CC(N)C(=O)O)c[nH]c2c1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-8(2)9-3-4-11-10(5-12(15)14(17)18)7-16-13(11)6-9;/h3-4,6-8,12,16H,5,15H2,1-2H3,(H,17,18);1H
InChIKeySGSLLXPDSTVDKS-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.67
Rot. Bonds4

About 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride

2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride (PubChem CID 158407145) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride
PubChem CID158407145
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride
SMILESCC(C)c1ccc2c(CC(N)C(=O)O)c[nH]c2c1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-8(2)9-3-4-11-10(5-12(15)14(17)18)7-16-13(11)6-9;/h3-4,6-8,12,16H,5,15H2,1-2H3,(H,17,18);1H
InChIKeySGSLLXPDSTVDKS-UHFFFAOYSA-N
XLogP2.67
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride (CID 158407145) is 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride is CC(C)c1ccc2c(CC(N)C(=O)O)c[nH]c2c1.Cl.
What is the InChIKey of 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride?
The InChIKey is SGSLLXPDSTVDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-8(2)9-3-4-11-10(5-12(15)14(17)18)7-16-13(11)6-9;/h3-4,6-8,12,16H,5,15H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride?
2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-propan-2-yl-1H-indol-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 158407145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).