methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate

C11H20N2O3 — CID 119695162

IUPACmethyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
SMILESCOC(=O)CC(C)NC(=O)C1CCCC1N
InChIInChI=1S/C11H20N2O3/c1-7(6-10(14)16-2)13-11(15)8-4-3-5-9(8)12/h7-9H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyLQWYLPJNZJWTPY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.18
Rot. Bonds4

About methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate

methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate (PubChem CID 119695162) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
PubChem CID119695162
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
SMILESCOC(=O)CC(C)NC(=O)C1CCCC1N
InChIInChI=1S/C11H20N2O3/c1-7(6-10(14)16-2)13-11(15)8-4-3-5-9(8)12/h7-9H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyLQWYLPJNZJWTPY-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate?
The IUPAC name of methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate (CID 119695162) is methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate?
The canonical SMILES for methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate is COC(=O)CC(C)NC(=O)C1CCCC1N.
What is the InChIKey of methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate?
The InChIKey is LQWYLPJNZJWTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(6-10(14)16-2)13-11(15)8-4-3-5-9(8)12/h7-9H,3-6,12H2,1-2H3,(H,13,15).
What are the key properties of methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate?
methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate has a molecular weight of 228.29 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate is sourced from PubChem (CID 119695162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).