butan-2-yl 2-(1-aminocyclopentyl)acetate

C11H21NO2 — CID 64701975

IUPACbutan-2-yl 2-(1-aminocyclopentyl)acetate
SMILESCCC(C)OC(=O)CC1(N)CCCC1
InChIInChI=1S/C11H21NO2/c1-3-9(2)14-10(13)8-11(12)6-4-5-7-11/h9H,3-8,12H2,1-2H3
InChIKeyHBSQDBGYCPBCCP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.99
Rot. Bonds4

About butan-2-yl 2-(1-aminocyclopentyl)acetate

butan-2-yl 2-(1-aminocyclopentyl)acetate (PubChem CID 64701975) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is butan-2-yl 2-(1-aminocyclopentyl)acetate.

Molecular Properties

Compound Namebutan-2-yl 2-(1-aminocyclopentyl)acetate
PubChem CID64701975
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebutan-2-yl 2-(1-aminocyclopentyl)acetate
SMILESCCC(C)OC(=O)CC1(N)CCCC1
InChIInChI=1S/C11H21NO2/c1-3-9(2)14-10(13)8-11(12)6-4-5-7-11/h9H,3-8,12H2,1-2H3
InChIKeyHBSQDBGYCPBCCP-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylpentan-2-yl 2-(1-aminocyclobutyl)acetate
CID 79845276
octan-2-yl 2-(1-aminocyclopentyl)acetate
CID 64700419
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380
butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451019
butan-2-yl 1-(2-butan-2-yloxy-2-oxoethyl)-2,5-dioxocyclopentane-1-carboxylate
CID 139799925
2-(1-aminocyclopentyl)-N-(3-ethylpentan-2-yl)acetamide
CID 64676880
(2S,3S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methylpentanoic acid
CID 64678791
2-(2-methylpropoxy)ethyl 2-(1-aminocyclobutyl)acetate
CID 106448206
2-(1-aminocyclohexyl)-N-(2-methylpentan-3-yl)acetamide
CID 64678828
2-(1-aminocyclohexyl)-N-(2-methylbutyl)acetamide
CID 64678530
2-(1-aminocyclopentyl)-N-methyl-N-pentan-3-ylacetamide
CID 64685380
2-(1-aminocyclopentyl)-N-methyl-N-propan-2-ylacetamide
CID 64684739

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(1-aminocyclopentyl)acetate?
The IUPAC name of butan-2-yl 2-(1-aminocyclopentyl)acetate (CID 64701975) is butan-2-yl 2-(1-aminocyclopentyl)acetate.
What is the SMILES notation for butan-2-yl 2-(1-aminocyclopentyl)acetate?
The canonical SMILES for butan-2-yl 2-(1-aminocyclopentyl)acetate is CCC(C)OC(=O)CC1(N)CCCC1.
What is the InChIKey of butan-2-yl 2-(1-aminocyclopentyl)acetate?
The InChIKey is HBSQDBGYCPBCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9(2)14-10(13)8-11(12)6-4-5-7-11/h9H,3-8,12H2,1-2H3.
What are the key properties of butan-2-yl 2-(1-aminocyclopentyl)acetate?
butan-2-yl 2-(1-aminocyclopentyl)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(1-aminocyclopentyl)acetate is sourced from PubChem (CID 64701975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).