2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid

C14H19N3O2 — CID 115240773

IUPAC2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
SMILESCN(Cc1cn(C)c2ccccc12)CC(N)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-16(9-12(15)14(18)19)7-10-8-17(2)13-6-4-3-5-11(10)13/h3-6,8,12H,7,9,15H2,1-2H3,(H,18,19)
InChIKeyYVHCVGIQCTWEEC-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid

2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid (PubChem CID 115240773) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
PubChem CID115240773
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
SMILESCN(Cc1cn(C)c2ccccc12)CC(N)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-16(9-12(15)14(18)19)7-10-8-17(2)13-6-4-3-5-11(10)13/h3-6,8,12H,7,9,15H2,1-2H3,(H,18,19)
InChIKeyYVHCVGIQCTWEEC-UHFFFAOYSA-N
XLogP1.02
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 115240804
1-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-2-one
CID 115234876
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
3-[(1-ethylindol-3-yl)methyl-methylamino]-2-methylpropanoic acid
CID 65067537
3-[methyl-[(1-methylindol-3-yl)methyl]amino]propane-1-thiol
CID 115225013
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400954
2,2-dimethyl-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propan-1-ol
CID 115135394
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid (CID 115240773) is 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid is CN(Cc1cn(C)c2ccccc12)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid?
The InChIKey is YVHCVGIQCTWEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(9-12(15)14(18)19)7-10-8-17(2)13-6-4-3-5-11(10)13/h3-6,8,12H,7,9,15H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid?
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid has a molecular weight of 261.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 115240773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).