ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate

C12H21NO2 — CID 10932742

IUPACethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate
SMILESCCOC(=O)C(NC(C)C)C1=CCCC1
InChIInChI=1S/C12H21NO2/c1-4-15-12(14)11(13-9(2)3)10-7-5-6-8-10/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeyPNPYEEIFNOZHOL-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds5

About ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate

ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate (PubChem CID 10932742) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate
PubChem CID10932742
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate
SMILESCCOC(=O)C(NC(C)C)C1=CCCC1
InChIInChI=1S/C12H21NO2/c1-4-15-12(14)11(13-9(2)3)10-7-5-6-8-10/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeyPNPYEEIFNOZHOL-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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methyl (2R,5R)-4-butyl-5-methyl-2-propan-2-yl-1,2-dihydropyrrole-5-carboxylate
CID 135037498
methyl (2S)-2-acetamido-3-(cyclohexen-1-yl)propanoate
CID 135054108
Ethyl 2-(cyclopenten-1-yl)-2-(propylamino)acetate
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ethyl (1R,7aS)-2,3,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylate
CID 12112726
ethyl (2S)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
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Ethyl 4-methyl-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate chloride
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Diethyl 4-methylene-2,6-piperidine dicarboxylate
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4-Butyl-1,2,3,6-tetrahydropyridine-2-carboxylic acid
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ethyl (2R)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 45082675
diethyl (2S,6S)-4-methylidenepiperidine-2,6-dicarboxylate
CID 57246553

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate?
The IUPAC name of ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate (CID 10932742) is ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate is CCOC(=O)C(NC(C)C)C1=CCCC1.
What is the InChIKey of ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate?
The InChIKey is PNPYEEIFNOZHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-15-12(14)11(13-9(2)3)10-7-5-6-8-10/h7,9,11,13H,4-6,8H2,1-3H3.
What are the key properties of ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate?
ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate has a molecular weight of 211.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopenten-1-yl)-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 10932742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).