2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid

C14H16N2O4 — CID 66173597

IUPAC2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
SMILESCn1cc(C(=O)NCC(C)(O)C(=O)O)c2ccccc21
InChIInChI=1S/C14H16N2O4/c1-14(20,13(18)19)8-15-12(17)10-7-16(2)11-6-4-3-5-9(10)11/h3-7,20H,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFBIPSPVXGVFFOT-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.74
Rot. Bonds4

About 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid (PubChem CID 66173597) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
PubChem CID66173597
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid
SMILESCn1cc(C(=O)NCC(C)(O)C(=O)O)c2ccccc21
InChIInChI=1S/C14H16N2O4/c1-14(20,13(18)19)8-15-12(17)10-7-16(2)11-6-4-3-5-9(10)11/h3-7,20H,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFBIPSPVXGVFFOT-UHFFFAOYSA-N
XLogP0.74
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methylindole-3-carboxamide
CID 25348690
2-[2-[(1-methylindole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241754
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
2,2-dimethyl-3-(1-methylindol-3-yl)-3-oxopropanoic acid
CID 116918097
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
N-(3-amino-2-methylpropyl)-1-methylindole-3-carboxamide
CID 115271613
N-[2-(benzylcarbamoyl)phenyl]-1-methylindole-3-carboxamide
CID 24676596
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
3-[[1-(2-methoxyethyl)indole-3-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701315
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid (CID 66173597) is 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid is Cn1cc(C(=O)NCC(C)(O)C(=O)O)c2ccccc21.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid?
The InChIKey is FBIPSPVXGVFFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-14(20,13(18)19)8-15-12(17)10-7-16(2)11-6-4-3-5-9(10)11/h3-7,20H,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(1-methylindole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66173597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).