propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate

C15H20N2O2 — CID 146400957

IUPACpropan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
SMILESCC(C)OC(=O)C(N)Cc1cn(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10(2)19-15(18)13(16)8-11-9-17(3)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8,16H2,1-3H3
InChIKeyMUYHGWPFILPMDR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.00
Rot. Bonds4

About propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate

propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate (PubChem CID 146400957) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
PubChem CID146400957
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namepropan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
SMILESCC(C)OC(=O)C(N)Cc1cn(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10(2)19-15(18)13(16)8-11-9-17(3)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8,16H2,1-3H3
InChIKeyMUYHGWPFILPMDR-UHFFFAOYSA-N
XLogP2.00
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400954
(2S)-2-amino-4,4-dimethyl-1-(1-methylindol-3-yl)pentan-3-one;ethane;molecular hydrogen
CID 177060885
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693
3-(2-hydroxyphenyl)prop-2-enoyl (2S)-2-amino-3-(1-methylindol-3-yl)propanoate
CID 87281293
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105
methyl 5-[[(2S)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]pentanoate
CID 58756850
(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one
CID 154573734
(2-methylpropan-2-yl)oxycarbonyl 2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]acetate
CID 126483127
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
(2R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid
CID 126482760

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate?
The IUPAC name of propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate (CID 146400957) is propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate.
What is the SMILES notation for propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate?
The canonical SMILES for propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate is CC(C)OC(=O)C(N)Cc1cn(C)c2ccccc12.
What is the InChIKey of propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate?
The InChIKey is MUYHGWPFILPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)19-15(18)13(16)8-11-9-17(3)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8,16H2,1-3H3.
What are the key properties of propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate?
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate has a molecular weight of 260.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate is sourced from PubChem (CID 146400957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).