2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate

C16H23N3O2 — CID 146400954

IUPAC2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate
SMILESCN(C)CCOC(=O)C(N)Cc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-18(2)8-9-21-16(20)14(17)10-12-11-19(3)15-7-5-4-6-13(12)15/h4-7,11,14H,8-10,17H2,1-3H3
InChIKeyKQUPLZPQZFJSBI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.15
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate

2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate (PubChem CID 146400954) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate
PubChem CID146400954
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate
SMILESCN(C)CCOC(=O)C(N)Cc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O2/c1-18(2)8-9-21-16(20)14(17)10-12-11-19(3)15-7-5-4-6-13(12)15/h4-7,11,14H,8-10,17H2,1-3H3
InChIKeyKQUPLZPQZFJSBI-UHFFFAOYSA-N
XLogP1.15
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
(2S)-2-amino-4,4-dimethyl-1-(1-methylindol-3-yl)pentan-3-one;ethane;molecular hydrogen
CID 177060885
6-[4-[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]oxybutylamino]hexyl 2-hexyldecanoate
CID 177261459
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
3-(2-hydroxyphenyl)prop-2-enoyl (2S)-2-amino-3-(1-methylindol-3-yl)propanoate
CID 87281293
2-amino-3-[methyl-[(1-methylindol-3-yl)methyl]amino]propanoic acid
CID 115240773
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810
methyl 5-[[(2S)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]pentanoate
CID 58756850
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693
2-(aminomethyl)-3-(1-methylindol-3-yl)propan-1-ol
CID 83977213

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate (CID 146400954) is 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate is CN(C)CCOC(=O)C(N)Cc1cn(C)c2ccccc12.
What is the InChIKey of 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate?
The InChIKey is KQUPLZPQZFJSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(2)8-9-21-16(20)14(17)10-12-11-19(3)15-7-5-4-6-13(12)15/h4-7,11,14H,8-10,17H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate?
2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate has a molecular weight of 289.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate is sourced from PubChem (CID 146400954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).