2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid

C15H20N2O3 — CID 62689740

IUPAC2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cccn2C2CC2)C1
InChIInChI=1S/C15H20N2O3/c18-14(19)9-11-3-1-7-16(10-11)15(20)13-4-2-8-17(13)12-5-6-12/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,18,19)
InChIKeyIHCZHXFAIFWPTC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds4

About 2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid

2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 62689740) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
PubChem CID62689740
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)c2cccn2C2CC2)C1
InChIInChI=1S/C15H20N2O3/c18-14(19)9-11-3-1-7-16(10-11)15(20)13-4-2-8-17(13)12-5-6-12/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,18,19)
InChIKeyIHCZHXFAIFWPTC-UHFFFAOYSA-N
XLogP2.15
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489
ethyl (3S)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 115535626
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
2-[1-(2-aminobenzoyl)piperidin-3-yl]acetic acid
CID 55105002
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97124412
2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
CID 62690994
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690770
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
2-[1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690247

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid (CID 62689740) is 2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)c2cccn2C2CC2)C1.
What is the InChIKey of 2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is IHCZHXFAIFWPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)9-11-3-1-7-16(10-11)15(20)13-4-2-8-17(13)12-5-6-12/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,18,19).
What are the key properties of 2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 276.34 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-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).