2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid

C12H18N2O4 — CID 106108154

IUPAC2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCCCn1cccc1C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-6-14-7-4-5-9(14)11(15)13-8-10(18-2)12(16)17/h4-5,7,10H,3,6,8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyITPUHJXWUHZBIQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.73
Rot. Bonds7

About 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid

2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 106108154) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID106108154
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCCCn1cccc1C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-6-14-7-4-5-9(14)11(15)13-8-10(18-2)12(16)17/h4-5,7,10H,3,6,8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyITPUHJXWUHZBIQ-UHFFFAOYSA-N
XLogP0.73
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methoxypropanoic acid
CID 114144339
2-[2-[(1-propylpyrrole-2-carbonyl)amino]ethoxy]acetic acid
CID 79456778
N-(3-ethyl-2-hydroxypentyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 106287615
2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552
N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 104593851
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 65218709
2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 102700126
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114332469
1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449375
2-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid
CID 79792812

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid (CID 106108154) is 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid is CCCn1cccc1C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is ITPUHJXWUHZBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-6-14-7-4-5-9(14)11(15)13-8-10(18-2)12(16)17/h4-5,7,10H,3,6,8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid?
2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106108154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).