2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide

C10H18N2O3 — CID 102601846

IUPAC2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide
SMILESCCOC1C=C[C@H](OC)[C@@H]1NCC(N)=O
InChIInChI=1S/C10H18N2O3/c1-3-15-8-5-4-7(14-2)10(8)12-6-9(11)13/h4-5,7-8,10,12H,3,6H2,1-2H3,(H2,11,13)/t7-,8?,10-/m0/s1
InChIKeyUNUUDPOTFSTGJW-OFQRNFBNSA-N
MW214.26 g/mol
LogP-0.58
Rot. Bonds6

About 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide

2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide (PubChem CID 102601846) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide
PubChem CID102601846
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide
SMILESCCOC1C=C[C@H](OC)[C@@H]1NCC(N)=O
InChIInChI=1S/C10H18N2O3/c1-3-15-8-5-4-7(14-2)10(8)12-6-9(11)13/h4-5,7-8,10,12H,3,6H2,1-2H3,(H2,11,13)/t7-,8?,10-/m0/s1
InChIKeyUNUUDPOTFSTGJW-OFQRNFBNSA-N
XLogP-0.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide?
The IUPAC name of 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide (CID 102601846) is 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide.
What is the SMILES notation for 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide?
The canonical SMILES for 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide is CCOC1C=C[C@H](OC)[C@@H]1NCC(N)=O.
What is the InChIKey of 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide?
The InChIKey is UNUUDPOTFSTGJW-OFQRNFBNSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-15-8-5-4-7(14-2)10(8)12-6-9(11)13/h4-5,7-8,10,12H,3,6H2,1-2H3,(H2,11,13)/t7-,8?,10-/m0/s1.
What are the key properties of 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide?
2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide has a molecular weight of 214.26 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide is sourced from PubChem (CID 102601846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).