2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid

C16H26N2O3 — CID 81155971

IUPAC2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)N2CCCC3CCCC32)CCC1
InChIInChI=1S/C16H26N2O3/c19-14(20)10-16(7-3-8-16)11-17-15(21)18-9-2-5-12-4-1-6-13(12)18/h12-13H,1-11H2,(H,17,21)(H,19,20)
InChIKeyYZEDEKBNCSNAPL-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.61
Rot. Bonds4

About 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid

2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81155971) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81155971
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)N2CCCC3CCCC32)CCC1
InChIInChI=1S/C16H26N2O3/c19-14(20)10-16(7-3-8-16)11-17-15(21)18-9-2-5-12-4-1-6-13(12)18/h12-13H,1-11H2,(H,17,21)(H,19,20)
InChIKeyYZEDEKBNCSNAPL-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

1-[(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446456
2-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 65320370
2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162804
2-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]acetyl]amino]acetic acid
CID 102727447
2-[1-[[(3-carbamoylpiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81148975
2-[1-[[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81157435
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-2-methylpropanoic acid
CID 65319645
2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81155963
2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161942
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methylpentanoic acid
CID 82014108
(2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
CID 97310729
4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122019573

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid (CID 81155971) is 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)N2CCCC3CCCC32)CCC1.
What is the InChIKey of 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is YZEDEKBNCSNAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14(20)10-16(7-3-8-16)11-17-15(21)18-9-2-5-12-4-1-6-13(12)18/h12-13H,1-11H2,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 294.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81155971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).