2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid

C13H18N2O3 — CID 54899755

IUPAC2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCn1cccc1C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-14-7-4-6-11(14)13(18)15-8-3-2-5-10(15)9-12(16)17/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyKBCRASRDYNHQAB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.49
Rot. Bonds3

About 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid

2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 54899755) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid
PubChem CID54899755
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid
SMILESCn1cccc1C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-14-7-4-6-11(14)13(18)15-8-3-2-5-10(15)9-12(16)17/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,16,17)
InChIKeyKBCRASRDYNHQAB-UHFFFAOYSA-N
XLogP1.49
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 3,5-dichlorobenzoate
CID 56528622
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 1-butanoylpyrrolidine-2-carboxylate
CID 56528525
2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899664
2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 61011217
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 56528564
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712
2-[(2S)-1-(4-methylsulfanylbenzoyl)piperidin-2-yl]acetic acid
CID 93437286
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 56528561
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-(2-chloro-6-fluorophenyl)acetate
CID 75493926

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid (CID 54899755) is 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid is Cn1cccc1C(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is KBCRASRDYNHQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-7-4-6-11(14)13(18)15-8-3-2-5-10(15)9-12(16)17/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).