1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate

C15H20N2O3 — CID 114351164

IUPAC1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
SMILESCOCC(C)OC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O3/c1-10(9-19-2)20-15(18)13(16)7-11-8-17-14-6-4-3-5-12(11)14/h3-6,8,10,13,17H,7,9,16H2,1-2H3
InChIKeyCBSRLRWDVPVVIZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.62
Rot. Bonds6

About 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate

1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate (PubChem CID 114351164) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
PubChem CID114351164
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
SMILESCOCC(C)OC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O3/c1-10(9-19-2)20-15(18)13(16)7-11-8-17-14-6-4-3-5-12(11)14/h3-6,8,10,13,17H,7,9,16H2,1-2H3
InChIKeyCBSRLRWDVPVVIZ-UHFFFAOYSA-N
XLogP1.62
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxypropyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 104911563
2-hydroxypropanoic acid;propan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate
CID 85471050
3-methylbutyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 22597671
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 54443221
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 83324335
4-methylpentyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 104911579
sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 175583817
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 85288956
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate?
The IUPAC name of 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate (CID 114351164) is 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate is COCC(C)OC(=O)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate?
The InChIKey is CBSRLRWDVPVVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(9-19-2)20-15(18)13(16)7-11-8-17-14-6-4-3-5-12(11)14/h3-6,8,10,13,17H,7,9,16H2,1-2H3.
What are the key properties of 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate?
1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2-amino-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 114351164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).