2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid

C13H17ClN2O3 — CID 54926471

IUPAC2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid
SMILESCn1cc(Cl)cc1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H17ClN2O3/c1-15-7-9(14)6-11(15)13(19)16(8-12(17)18)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyIZKIMLLHYSNNMI-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.15
Rot. Bonds4

About 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid

2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid (PubChem CID 54926471) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid
PubChem CID54926471
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid
SMILESCn1cc(Cl)cc1C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H17ClN2O3/c1-15-7-9(14)6-11(15)13(19)16(8-12(17)18)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,17,18)
InChIKeyIZKIMLLHYSNNMI-UHFFFAOYSA-N
XLogP2.15
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid (CID 54926471) is 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid is Cn1cc(Cl)cc1C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid?
The InChIKey is IZKIMLLHYSNNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-15-7-9(14)6-11(15)13(19)16(8-12(17)18)10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid?
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid has a molecular weight of 284.74 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid is sourced from PubChem (CID 54926471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).