2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid

C11H16N2O4 — CID 81076617

IUPAC2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1ccc(C)n1C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-4-5-9(13(7)2)10(14)12-8(6-17-3)11(15)16/h4-5,8H,6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyHGZGWBKCIMFTEU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.16
Rot. Bonds5

About 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid

2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid (PubChem CID 81076617) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
PubChem CID81076617
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1ccc(C)n1C)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-4-5-9(13(7)2)10(14)12-8(6-17-3)11(15)16/h4-5,8H,6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyHGZGWBKCIMFTEU-UHFFFAOYSA-N
XLogP0.16
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469560
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
3-methoxy-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 81076778
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077130
N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
CID 42930410
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076810
2-[(4-bromobenzoyl)amino]-3-methoxypropanoic acid
CID 81076799
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
CID 81077384
N-[(2S)-1-amino-4-methoxy-1-oxobutan-2-yl]-1-methyl-5-phenylpyrrole-2-carboxamide
CID 97259024
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid (CID 81076617) is 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid is COCC(NC(=O)c1ccc(C)n1C)C(=O)O.
What is the InChIKey of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid?
The InChIKey is HGZGWBKCIMFTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-4-5-9(13(7)2)10(14)12-8(6-17-3)11(15)16/h4-5,8H,6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid?
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81076617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).