1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H18N2O3 — CID 115449375

IUPAC1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCn1cccc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H18N2O3/c1-2-7-15-8-3-4-10(15)11(16)14-9-13(5-6-13)12(17)18/h3-4,8H,2,5-7,9H2,1H3,(H,14,16)(H,17,18)
InChIKeyJTVGCADCAMGRBQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.49
Rot. Bonds6

About 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449375) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449375
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCn1cccc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H18N2O3/c1-2-7-15-8-3-4-10(15)11(16)14-9-13(5-6-13)12(17)18/h3-4,8H,2,5-7,9H2,1H3,(H,14,16)(H,17,18)
InChIKeyJTVGCADCAMGRBQ-UHFFFAOYSA-N
XLogP1.49
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
CID 103968979
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 65119021
1-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639039
2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 106108154
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide
CID 43639095
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide
CID 113294516
2-[2-[(1-propylpyrrole-2-carbonyl)amino]ethoxy]acetic acid
CID 79456778
N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61410236
2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 114109249
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449752
3-[[(1-propylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 60893878

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449375) is 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is CCCn1cccc1C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is JTVGCADCAMGRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-7-15-8-3-4-10(15)11(16)14-9-13(5-6-13)12(17)18/h3-4,8H,2,5-7,9H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).