(1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid

C14H23NO5 — CID 163564522

IUPAC(1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid
SMILESCCOC[C@]1(C(=O)O)CCC(=NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO5/c1-5-19-9-14(11(16)17)7-6-10(8-14)15-12(18)20-13(2,3)4/h5-9H2,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyFUBHKJANHSDYAS-AWEZNQCLSA-N
MW285.34 g/mol
LogP2.65
Rot. Bonds4

About (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid

(1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid (PubChem CID 163564522) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid
PubChem CID163564522
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid
SMILESCCOC[C@]1(C(=O)O)CCC(=NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO5/c1-5-19-9-14(11(16)17)7-6-10(8-14)15-12(18)20-13(2,3)4/h5-9H2,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyFUBHKJANHSDYAS-AWEZNQCLSA-N
XLogP2.65
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid
CID 163972747
(1S)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid
CID 173968410

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid?
The IUPAC name of (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid (CID 163564522) is (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid?
The canonical SMILES for (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid is CCOC[C@]1(C(=O)O)CCC(=NC(=O)OC(C)(C)C)C1.
What is the InChIKey of (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid?
The InChIKey is FUBHKJANHSDYAS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23NO5/c1-5-19-9-14(11(16)17)7-6-10(8-14)15-12(18)20-13(2,3)4/h5-9H2,1-4H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid?
(1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylimino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 163564522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).