2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride

C12H15ClN2O2 — CID 134497135

IUPAC2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
SMILESCl.Cn1cc(CC(N)C(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O2.ClH/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14;/h2-5,7,10H,6,13H2,1H3,(H,15,16);1H
InChIKeyXHHFEVHSOOFMGW-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride

2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride (PubChem CID 134497135) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
PubChem CID134497135
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
SMILESCl.Cn1cc(CC(N)C(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O2.ClH/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14;/h2-5,7,10H,6,13H2,1H3,(H,15,16);1H
InChIKeyXHHFEVHSOOFMGW-UHFFFAOYSA-N
XLogP1.55
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
(2S)-2-amino-3-[1-(1-hydroxyethyl)indol-3-yl]propanoic acid
CID 71351502
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
(2S)-2-amino-4,4-dimethyl-1-(1-methylindol-3-yl)pentan-3-one;ethane;molecular hydrogen
CID 177060885
2-amino-3-[1-(3-methylbut-2-enyl)indol-3-yl]propanoic acid
CID 50908581
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
2-amino-3-(1-butan-2-ylindol-3-yl)propanoic acid
CID 170879782
2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400954
(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483330

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride (CID 134497135) is 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride is Cl.Cn1cc(CC(N)C(=O)O)c2ccccc21.
What is the InChIKey of 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
The InChIKey is XHHFEVHSOOFMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14;/h2-5,7,10H,6,13H2,1H3,(H,15,16);1H.
What are the key properties of 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride?
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 134497135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).