ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate

C15H25NO3 — CID 124885895

IUPACethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate
SMILESCCOC(=O)[C@@H](N[C@H]1C=CCCC1)C1CCOCC1
InChIInChI=1S/C15H25NO3/c1-2-19-15(17)14(12-8-10-18-11-9-12)16-13-6-4-3-5-7-13/h4,6,12-14,16H,2-3,5,7-11H2,1H3/t13-,14-/m0/s1
InChIKeyCALVXWDPTKVQNK-KBPBESRZSA-N
MW267.37 g/mol
LogP2.04
Rot. Bonds5

About ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate

ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate (PubChem CID 124885895) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate
PubChem CID124885895
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate
SMILESCCOC(=O)[C@@H](N[C@H]1C=CCCC1)C1CCOCC1
InChIInChI=1S/C15H25NO3/c1-2-19-15(17)14(12-8-10-18-11-9-12)16-13-6-4-3-5-7-13/h4,6,12-14,16H,2-3,5,7-11H2,1H3/t13-,14-/m0/s1
InChIKeyCALVXWDPTKVQNK-KBPBESRZSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate with MolForge

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Related Compounds

ethyl 2-formamido-2-(oxan-4-yl)acetate
CID 86612132
ethyl 2-(cyclohexylamino)-2-(oxolan-3-yl)acetate
CID 54892505
ethyl 2-(cyclopentylamino)-2-cyclopropylacetate
CID 61310564
ethyl 2-(4-chloroanilino)-2-(oxan-4-yl)acetate
CID 62387239
ethyl 2-amino-3-cyclohex-2-en-1-ylpropanoate
CID 167715364
2-(cyclohex-2-en-1-ylamino)-N-ethyl-N-methylpropanamide
CID 107908317
N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine
CID 86782266
3-ethoxy-2-(oxan-4-yl)-3-oxopropanoic acid
CID 103973485
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide
CID 103914307
ethyl 2-(4-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890681
lithium;di(propan-2-yl)azanide;ethyl 2-bromo-2-(oxan-4-yl)acetate
CID 160833087

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate?
The IUPAC name of ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate (CID 124885895) is ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate.
What is the SMILES notation for ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate?
The canonical SMILES for ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate is CCOC(=O)[C@@H](N[C@H]1C=CCCC1)C1CCOCC1.
What is the InChIKey of ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate?
The InChIKey is CALVXWDPTKVQNK-KBPBESRZSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-19-15(17)14(12-8-10-18-11-9-12)16-13-6-4-3-5-7-13/h4,6,12-14,16H,2-3,5,7-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate?
ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate has a molecular weight of 267.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(1R)-cyclohex-2-en-1-yl]amino]-2-(oxan-4-yl)acetate is sourced from PubChem (CID 124885895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).