2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid

C12H20N2O3 — CID 79845652

IUPAC2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CCNC2)CCC1
InChIInChI=1S/C12H20N2O3/c15-10(6-9-2-5-13-8-9)14-12(3-1-4-12)7-11(16)17/h9,13H,1-8H2,(H,14,15)(H,16,17)
InChIKeyAZVUWTYFDLPWNS-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.50
Rot. Bonds5

About 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid

2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid (PubChem CID 79845652) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
PubChem CID79845652
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CCNC2)CCC1
InChIInChI=1S/C12H20N2O3/c15-10(6-9-2-5-13-8-9)14-12(3-1-4-12)7-11(16)17/h9,13H,1-8H2,(H,14,15)(H,16,17)
InChIKeyAZVUWTYFDLPWNS-UHFFFAOYSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
CID 79846171
N-[1-(hydroxymethyl)cyclohexyl]-2-piperidin-4-ylacetamide
CID 62551511
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-piperidin-3-ylacetamide
CID 62674573
2-[1-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]amino]cyclobutyl]acetic acid
CID 80522088
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450787
2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid
CID 119217995
2-[1-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclobutyl]acetic acid
CID 79848948
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid (CID 79845652) is 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CC2CCNC2)CCC1.
What is the InChIKey of 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid?
The InChIKey is AZVUWTYFDLPWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-10(6-9-2-5-13-8-9)14-12(3-1-4-12)7-11(16)17/h9,13H,1-8H2,(H,14,15)(H,16,17).
What are the key properties of 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).