2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid

C16H18N2O3 — CID 120701236

IUPAC2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCn1cccc1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21,12-7-4-3-5-8-12)11-17-14(19)13-9-6-10-18(13)2/h3-10H,11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyMTYDZEYPMXHWTB-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid

2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 120701236) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID120701236
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCn1cccc1C(=O)NCC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-16(15(20)21,12-7-4-3-5-8-12)11-17-14(19)13-9-6-10-18(13)2/h3-10H,11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyMTYDZEYPMXHWTB-UHFFFAOYSA-N
XLogP1.80
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrrole-2-carboxamide
CID 113322191
3-[(2-ethylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701661
N-(2-hydroxy-2,4-dimethylpentyl)-1-methylpyrrole-2-carboxamide
CID 66178490
3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 122108747
1-methyl-N-(2-methyl-1-phenylpropan-2-yl)pyrrole-2-carboxamide
CID 68779216
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
2-methyl-2-phenyl-3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 120701287
3-[[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701310

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid (CID 120701236) is 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid is Cn1cccc1C(=O)NCC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is MTYDZEYPMXHWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(15(20)21,12-7-4-3-5-8-12)11-17-14(19)13-9-6-10-18(13)2/h3-10H,11H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid?
2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrrole-2-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 120701236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).