methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate

C14H16N2O3 — CID 75607601

IUPACmethyl 2-[(1-methylindole-5-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C14H16N2O3/c1-9(14(18)19-3)15-13(17)11-4-5-12-10(8-11)6-7-16(12)2/h4-9H,1-3H3,(H,15,17)
InChIKeyHKBXWIUPOHQYKX-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate

methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate (PubChem CID 75607601) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylindole-5-carbonyl)amino]propanoate
PubChem CID75607601
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-[(1-methylindole-5-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C14H16N2O3/c1-9(14(18)19-3)15-13(17)11-4-5-12-10(8-11)6-7-16(12)2/h4-9H,1-3H3,(H,15,17)
InChIKeyHKBXWIUPOHQYKX-UHFFFAOYSA-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

2-methyl-1-(1-methylindol-5-yl)propan-1-one
CID 83388491
methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
CID 71918006
2-[(1-methylindole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 118985862
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
methyl (2R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)propanoate
CID 113257882
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methylindole-5-carboxamide
CID 86206903
methyl (2S)-2-benzamidopropanoate
CID 6364617

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate (CID 75607601) is methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc2c(ccn2C)c1.
What is the InChIKey of methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate?
The InChIKey is HKBXWIUPOHQYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(14(18)19-3)15-13(17)11-4-5-12-10(8-11)6-7-16(12)2/h4-9H,1-3H3,(H,15,17).
What are the key properties of methyl 2-[(1-methylindole-5-carbonyl)amino]propanoate?
methyl 2-[(1-methylindole-5-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 2-[(1-methylindole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 75607601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).