2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid

C13H21NO4 — CID 103555673

IUPAC2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOC1(CC(=O)NC2CCCC2C(=O)O)CCC1
InChIInChI=1S/C13H21NO4/c1-18-13(6-3-7-13)8-11(15)14-10-5-2-4-9(10)12(16)17/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyPXXHEFVHIQVTIK-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.32
Rot. Bonds5

About 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid

2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 103555673) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID103555673
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCOC1(CC(=O)NC2CCCC2C(=O)O)CCC1
InChIInChI=1S/C13H21NO4/c1-18-13(6-3-7-13)8-11(15)14-10-5-2-4-9(10)12(16)17/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyPXXHEFVHIQVTIK-UHFFFAOYSA-N
XLogP1.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103555615
2-(1-methoxycyclobutyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 103557399
N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide
CID 106366815
N-(3-hydroxycyclobutyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557188
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 65241761
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
2-(1-methoxycyclobutyl)-N-pyrrolidin-3-ylacetamide
CID 103555829
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813097

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 103555673) is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid is COC1(CC(=O)NC2CCCC2C(=O)O)CCC1.
What is the InChIKey of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is PXXHEFVHIQVTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-18-13(6-3-7-13)8-11(15)14-10-5-2-4-9(10)12(16)17/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103555673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).