2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid

C11H20N2O3 — CID 64678457

IUPAC2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1(N)CCCC1
InChIInChI=1S/C11H20N2O3/c1-8(10(15)16)13(2)9(14)7-11(12)5-3-4-6-11/h8H,3-7,12H2,1-2H3,(H,15,16)
InChIKeySHOGEIPGIISZGY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.58
Rot. Bonds4

About 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid

2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid (PubChem CID 64678457) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid
PubChem CID64678457
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CC1(N)CCCC1
InChIInChI=1S/C11H20N2O3/c1-8(10(15)16)13(2)9(14)7-11(12)5-3-4-6-11/h8H,3-7,12H2,1-2H3,(H,15,16)
InChIKeySHOGEIPGIISZGY-UHFFFAOYSA-N
XLogP0.58
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-methyl-N-propan-2-ylacetamide
CID 64684739
2-(1-aminocyclopentyl)-N-methyl-N-pentan-3-ylacetamide
CID 64685380
2-[(1-aminocyclobutanecarbonyl)-methylamino]propanoic acid
CID 81169408
2-(1-aminocyclohexyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 64678950
2-(1-aminocyclopentyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 64686086
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885
2-(1-aminocyclobutyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 79854166
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
2-[[2-(1-aminocyclopentyl)acetyl]amino]-N,N-dimethylpropanamide
CID 64685184
2-[methyl(spiro[2.4]heptane-2-carbonyl)amino]propanoic acid
CID 119209159
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
2-(1-aminocyclohexyl)-N-butyl-N-methylacetamide
CID 64685530

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid (CID 64678457) is 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CC1(N)CCCC1.
What is the InChIKey of 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid?
The InChIKey is SHOGEIPGIISZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(10(15)16)13(2)9(14)7-11(12)5-3-4-6-11/h8H,3-7,12H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid?
2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-aminocyclopentyl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 64678457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).