3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid

C18H26N2O4 — CID 126793235

IUPAC3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1cccn1C1CCCC1)C1CCOCC1
InChIInChI=1S/C18H26N2O4/c21-17(22)7-11-20(15-8-12-24-13-9-15)18(23)16-6-3-10-19(16)14-4-1-2-5-14/h3,6,10,14-15H,1-2,4-5,7-9,11-13H2,(H,21,22)
InChIKeyGCHZOVGNUCCFPO-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.70
Rot. Bonds6

About 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid

3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid (PubChem CID 126793235) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid
PubChem CID126793235
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1cccn1C1CCCC1)C1CCOCC1
InChIInChI=1S/C18H26N2O4/c21-17(22)7-11-20(15-8-12-24-13-9-15)18(23)16-6-3-10-19(16)14-4-1-2-5-14/h3,6,10,14-15H,1-2,4-5,7-9,11-13H2,(H,21,22)
InChIKeyGCHZOVGNUCCFPO-UHFFFAOYSA-N
XLogP2.70
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070
3-[oxan-4-yl(pyrrolo[1,2-b]pyridazine-7-carbonyl)amino]propanoic acid
CID 154867184
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715589
3-[(4-chlorobenzoyl)-(oxan-4-yl)amino]propanoic acid
CID 122146334
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716452
6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 154842023
3-[oxan-4-yl-[4-(2-oxopiperidin-1-yl)benzoyl]amino]propanoic acid
CID 119212255
2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
CID 114608980
1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 110011714
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212251

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid (CID 126793235) is 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid is O=C(O)CCN(C(=O)c1cccn1C1CCCC1)C1CCOCC1.
What is the InChIKey of 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid?
The InChIKey is GCHZOVGNUCCFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c21-17(22)7-11-20(15-8-12-24-13-9-15)18(23)16-6-3-10-19(16)14-4-1-2-5-14/h3,6,10,14-15H,1-2,4-5,7-9,11-13H2,(H,21,22).
What are the key properties of 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid?
3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid has a molecular weight of 334.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrrole-2-carbonyl)-(oxan-4-yl)amino]propanoic acid is sourced from PubChem (CID 126793235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).