2-cyclopropylethyl 2-amino-5-methoxypentanoate

C11H21NO3 — CID 106202545

IUPAC2-cyclopropylethyl 2-amino-5-methoxypentanoate
SMILESCOCCCC(N)C(=O)OCCC1CC1
InChIInChI=1S/C11H21NO3/c1-14-7-2-3-10(12)11(13)15-8-6-9-4-5-9/h9-10H,2-8,12H2,1H3
InChIKeyHDMBSQXXOFYSSG-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds8

About 2-cyclopropylethyl 2-amino-5-methoxypentanoate

2-cyclopropylethyl 2-amino-5-methoxypentanoate (PubChem CID 106202545) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-cyclopropylethyl 2-amino-5-methoxypentanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 2-amino-5-methoxypentanoate
PubChem CID106202545
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-cyclopropylethyl 2-amino-5-methoxypentanoate
SMILESCOCCCC(N)C(=O)OCCC1CC1
InChIInChI=1S/C11H21NO3/c1-14-7-2-3-10(12)11(13)15-8-6-9-4-5-9/h9-10H,2-8,12H2,1H3
InChIKeyHDMBSQXXOFYSSG-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropylethyl 2-amino-4-methoxybutanoate
CID 106202740
2-cyclopropylethyl 2-aminobutanoate
CID 106202655
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
2-amino-N-[(4-hydroxycyclohexyl)methyl]-5-methoxypentanamide
CID 106135403
2-amino-5-methoxypentanoic acid
CID 18361135
2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81081732
2-amino-N-(4-ethylcyclohexyl)-5-methoxy-N-methylpentanamide
CID 81088714
oxan-2-ylmethyl 2-amino-5-methoxypentanoate
CID 81085892
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 114797556
2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
CID 112734411
3-amino-1,6-dimethoxyhexan-2-one
CID 116593700
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 2-amino-5-methoxypentanoate?
The IUPAC name of 2-cyclopropylethyl 2-amino-5-methoxypentanoate (CID 106202545) is 2-cyclopropylethyl 2-amino-5-methoxypentanoate.
What is the SMILES notation for 2-cyclopropylethyl 2-amino-5-methoxypentanoate?
The canonical SMILES for 2-cyclopropylethyl 2-amino-5-methoxypentanoate is COCCCC(N)C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 2-amino-5-methoxypentanoate?
The InChIKey is HDMBSQXXOFYSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-14-7-2-3-10(12)11(13)15-8-6-9-4-5-9/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-cyclopropylethyl 2-amino-5-methoxypentanoate?
2-cyclopropylethyl 2-amino-5-methoxypentanoate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 2-amino-5-methoxypentanoate is sourced from PubChem (CID 106202545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).