2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid

C14H19N3O2 — CID 116911472

IUPAC2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid
SMILESCN(C)C(c1cn(C)c2ccccc12)C(N)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-16(2)13(12(15)14(18)19)10-8-17(3)11-7-5-4-6-9(10)11/h4-8,12-13H,15H2,1-3H3,(H,18,19)
InChIKeyYOPVIDSSVZZURH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.19
Rot. Bonds4

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

2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid (PubChem CID 116911472) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid
PubChem CID116911472
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid
SMILESCN(C)C(c1cn(C)c2ccccc12)C(N)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-16(2)13(12(15)14(18)19)10-8-17(3)11-7-5-4-6-9(10)11/h4-8,12-13H,15H2,1-3H3,(H,18,19)
InChIKeyYOPVIDSSVZZURH-UHFFFAOYSA-N
XLogP1.19
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide
CID 155048137
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CID 116915219
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
3-amino-N',N'-dimethyl-3-(1-methylindol-3-yl)propanehydrazide
CID 116850038
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
CID 101252968
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid (CID 116911472) is 2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid is CN(C)C(c1cn(C)c2ccccc12)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid?
The InChIKey is YOPVIDSSVZZURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)13(12(15)14(18)19)10-8-17(3)11-7-5-4-6-9(10)11/h4-8,12-13H,15H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid?
2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid is sourced from PubChem (CID 116911472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).