2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid

C13H22N2O3 — CID 79854894

IUPAC2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid
SMILESNC1(CC(=O)N(CC(=O)O)C2CCCC2)CCC1
InChIInChI=1S/C13H22N2O3/c14-13(6-3-7-13)8-11(16)15(9-12(17)18)10-4-1-2-5-10/h10H,1-9,14H2,(H,17,18)
InChIKeyHXZWQNVNDUZFRO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.11
Rot. Bonds5

About 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid

2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid (PubChem CID 79854894) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid
PubChem CID79854894
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid
SMILESNC1(CC(=O)N(CC(=O)O)C2CCCC2)CCC1
InChIInChI=1S/C13H22N2O3/c14-13(6-3-7-13)8-11(16)15(9-12(17)18)10-4-1-2-5-10/h10H,1-9,14H2,(H,17,18)
InChIKeyHXZWQNVNDUZFRO-UHFFFAOYSA-N
XLogP1.11
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(1-aminocyclobutyl)acetyl]-cyclopropylamino]propanoic acid
CID 79854101
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
2-(1-aminocyclobutyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79854204
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
2-(1-aminocyclohexyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102861595
2-[(1-aminocyclobutanecarbonyl)-cyclopropylamino]acetic acid
CID 81173046
2-[cyclopentyl-[2-(cyclopropylamino)acetyl]amino]acetic acid
CID 61161688
2-(1-aminocyclohexyl)-N-cyclopropyl-N-propylacetamide
CID 64684772
2-[cyclopentyl-[2-(cyclopropylmethylamino)acetyl]amino]acetic acid
CID 61162082
2-[1-(aminomethyl)cyclobutyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
CID 81172433
2-(1-aminocyclobutyl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102632099
2-(1-aminocyclobutyl)-1-cyclopentylethanone
CID 116591112

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid?
The IUPAC name of 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid (CID 79854894) is 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid is NC1(CC(=O)N(CC(=O)O)C2CCCC2)CCC1.
What is the InChIKey of 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid?
The InChIKey is HXZWQNVNDUZFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-13(6-3-7-13)8-11(16)15(9-12(17)18)10-4-1-2-5-10/h10H,1-9,14H2,(H,17,18).
What are the key properties of 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid?
2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclobutyl)acetyl]-cyclopentylamino]acetic acid is sourced from PubChem (CID 79854894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).