4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid

C13H16N2O3 — CID 82881011

IUPAC4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)C2CC3CC3C2)c1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-6-11(13(17)18)10(5-14-6)15-12(16)9-3-7-2-8(7)4-9/h5,7-9,14H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyIUHCCDVCUHVXTQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.01
Rot. Bonds3

About 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid

4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82881011) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82881011
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)C2CC3CC3C2)c1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-6-11(13(17)18)10(5-14-6)15-12(16)9-3-7-2-8(7)4-9/h5,7-9,14H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyIUHCCDVCUHVXTQ-UHFFFAOYSA-N
XLogP2.01
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid with MolForge

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Related Compounds

2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82881244
2-methyl-4-(2,2,3,3-tetrafluoropropanoylamino)-1H-pyrrole-3-carboxylic acid
CID 114032541
4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880580
4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881248
2-methyl-4-[(3,4,5-trifluorobenzoyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82876120
2-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82880586
N-(2-bromo-5-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82756821
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881165
3-(bicyclo[3.1.0]hexane-3-carbonylamino)-4-bromobenzoic acid
CID 114003825
N-(4-methyl-1H-pyrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 104620156
N-(4-amino-5-chloro-2-methylphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 104667623
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877305

Frequently Asked Questions

What is the IUPAC name of 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82881011) is 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)C2CC3CC3C2)c1C(=O)O.
What is the InChIKey of 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is IUHCCDVCUHVXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-6-11(13(17)18)10(5-14-6)15-12(16)9-3-7-2-8(7)4-9/h5,7-9,14H,2-4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid?
4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bicyclo[3.1.0]hexane-3-carbonylamino)-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82881011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).