2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid

C11H12Cl2N2O3 — CID 43341242

IUPAC2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(Cl)c(Cl)[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C11H12Cl2N2O3/c1-11(10(17)18,5-2-3-5)15-9(16)7-4-6(12)8(13)14-7/h4-5,14H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyHAFTYQPLYGKTTO-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.30
Rot. Bonds4

About 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 43341242) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid
PubChem CID43341242
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(Cl)c(Cl)[nH]1)(C(=O)O)C1CC1
InChIInChI=1S/C11H12Cl2N2O3/c1-11(10(17)18,5-2-3-5)15-9(16)7-4-6(12)8(13)14-7/h4-5,14H,2-3H2,1H3,(H,15,16)(H,17,18)
InChIKeyHAFTYQPLYGKTTO-UHFFFAOYSA-N
XLogP2.30
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid (CID 43341242) is 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid is CC(NC(=O)c1cc(Cl)c(Cl)[nH]1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is HAFTYQPLYGKTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-11(10(17)18,5-2-3-5)15-9(16)7-4-6(12)8(13)14-7/h4-5,14H,2-3H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 291.13 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43341242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).