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

C11H12Cl2N2O3 — CID 43341194

IUPAC1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H12Cl2N2O3/c12-6-5-7(14-8(6)13)9(16)15-11(10(17)18)3-1-2-4-11/h5,14H,1-4H2,(H,15,16)(H,17,18)
InChIKeyHQSAOGSKOAMKIS-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.45
Rot. Bonds3

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

1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43341194) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43341194
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C11H12Cl2N2O3/c12-6-5-7(14-8(6)13)9(16)15-11(10(17)18)3-1-2-4-11/h5,14H,1-4H2,(H,15,16)(H,17,18)
InChIKeyHQSAOGSKOAMKIS-UHFFFAOYSA-N
XLogP2.45
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43341194) is 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is HQSAOGSKOAMKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c12-6-5-7(14-8(6)13)9(16)15-11(10(17)18)3-1-2-4-11/h5,14H,1-4H2,(H,15,16)(H,17,18).
What are the key properties of 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 291.13 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43341194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).