methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate

C14H16N2O3 — CID 47337364

IUPACmethyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-9(14(18)19-3)15-13(17)11-8-16(2)12-7-5-4-6-10(11)12/h4-9H,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeySLCBEXWPVMWHLJ-VIFPVBQESA-N
MW260.29 g/mol
LogP1.47
Rot. Bonds3

About methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate

methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate (PubChem CID 47337364) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
PubChem CID47337364
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-9(14(18)19-3)15-13(17)11-8-16(2)12-7-5-4-6-10(11)12/h4-9H,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeySLCBEXWPVMWHLJ-VIFPVBQESA-N
XLogP1.47
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
CID 91787907
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9152128
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
[(2S)-1-amino-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 40518343
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
methyl 3-methyl-2-[(2-methyl-1-oxoisoquinoline-4-carbonyl)amino]butanoate
CID 162966643

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate (CID 47337364) is methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate?
The InChIKey is SLCBEXWPVMWHLJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(14(18)19-3)15-13(17)11-8-16(2)12-7-5-4-6-10(11)12/h4-9H,1-3H3,(H,15,17)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate?
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate has a molecular weight of 260.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 47337364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).