methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate

C11H19NO3 — CID 139604550

IUPACmethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(N)C(OCC(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-7(2)6-15-9-5-4-8(10(9)12)11(13)14-3/h7,9H,4-6,12H2,1-3H3
InChIKeyNHNPLSZFVQMQRX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.21
Rot. Bonds4

About methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate

methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate (PubChem CID 139604550) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
PubChem CID139604550
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(N)C(OCC(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-7(2)6-15-9-5-4-8(10(9)12)11(13)14-3/h7,9H,4-6,12H2,1-3H3
InChIKeyNHNPLSZFVQMQRX-UHFFFAOYSA-N
XLogP1.21
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate (CID 139604550) is methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate is COC(=O)C1=C(N)C(OCC(C)C)CC1.
What is the InChIKey of methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
The InChIKey is NHNPLSZFVQMQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)6-15-9-5-4-8(10(9)12)11(13)14-3/h7,9H,4-6,12H2,1-3H3.
What are the key properties of methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate?
methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate is sourced from PubChem (CID 139604550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).