methyl 2-(1-amino-3-ethoxycyclobutyl)acetate

C9H17NO3 — CID 106824251

IUPACmethyl 2-(1-amino-3-ethoxycyclobutyl)acetate
SMILESCCOC1CC(N)(CC(=O)OC)C1
InChIInChI=1S/C9H17NO3/c1-3-13-7-4-9(10,5-7)6-8(11)12-2/h7H,3-6,10H2,1-2H3
InChIKeyFTDCPIBLKQFUOL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.45
Rot. Bonds4

About methyl 2-(1-amino-3-ethoxycyclobutyl)acetate

methyl 2-(1-amino-3-ethoxycyclobutyl)acetate (PubChem CID 106824251) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-(1-amino-3-ethoxycyclobutyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-amino-3-ethoxycyclobutyl)acetate
PubChem CID106824251
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-(1-amino-3-ethoxycyclobutyl)acetate
SMILESCCOC1CC(N)(CC(=O)OC)C1
InChIInChI=1S/C9H17NO3/c1-3-13-7-4-9(10,5-7)6-8(11)12-2/h7H,3-6,10H2,1-2H3
InChIKeyFTDCPIBLKQFUOL-UHFFFAOYSA-N
XLogP0.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
2-[3-ethoxy-1-(ethylamino)cyclobutyl]acetamide
CID 106824505
methyl 2-(1-amino-4-tert-butyl-4-methylcyclohexyl)acetate
CID 70866796
methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate
CID 71193848
methyl 2-(4-amino-1,1-dioxothian-4-yl)acetate
CID 75356327
2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid
CID 106824660
methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 106822542
methyl 2-(3-aminopyrrolidin-3-yl)acetate
CID 115012363
ethyl 3-oxo-4-(3,3,5,5-tetramethylcyclohexyl)oxybutanoate
CID 69186825
ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate
CID 106824504
methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate
CID 155402586
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-amino-3-ethoxycyclobutyl)acetate?
The IUPAC name of methyl 2-(1-amino-3-ethoxycyclobutyl)acetate (CID 106824251) is methyl 2-(1-amino-3-ethoxycyclobutyl)acetate.
What is the SMILES notation for methyl 2-(1-amino-3-ethoxycyclobutyl)acetate?
The canonical SMILES for methyl 2-(1-amino-3-ethoxycyclobutyl)acetate is CCOC1CC(N)(CC(=O)OC)C1.
What is the InChIKey of methyl 2-(1-amino-3-ethoxycyclobutyl)acetate?
The InChIKey is FTDCPIBLKQFUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-13-7-4-9(10,5-7)6-8(11)12-2/h7H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-(1-amino-3-ethoxycyclobutyl)acetate?
methyl 2-(1-amino-3-ethoxycyclobutyl)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-amino-3-ethoxycyclobutyl)acetate is sourced from PubChem (CID 106824251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).