ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate

C11H19NO3 — CID 139604542

IUPACethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(N)C(OC(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-4-14-11(13)8-5-6-9(10(8)12)15-7(2)3/h7,9H,4-6,12H2,1-3H3
InChIKeyNIUJDPXZSJBWAI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.35
Rot. Bonds4

About ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate

ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate (PubChem CID 139604542) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate
PubChem CID139604542
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(N)C(OC(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-4-14-11(13)8-5-6-9(10(8)12)15-7(2)3/h7,9H,4-6,12H2,1-3H3
InChIKeyNIUJDPXZSJBWAI-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate (CID 139604542) is ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate is CCOC(=O)C1=C(N)C(OC(C)C)CC1.
What is the InChIKey of ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate?
The InChIKey is NIUJDPXZSJBWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-14-11(13)8-5-6-9(10(8)12)15-7(2)3/h7,9H,4-6,12H2,1-3H3.
What are the key properties of ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate?
ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate is sourced from PubChem (CID 139604542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).