4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid

C14H23NO5 — CID 129278711

IUPAC4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CC1(C)COC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H23NO5/c1-3-19-12(16)11-8-14(11,2)9-20-10-4-6-15(7-5-10)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyIXLMPZXERGQNAT-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.73
Rot. Bonds5

About 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid

4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid (PubChem CID 129278711) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid
PubChem CID129278711
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid
SMILESCCOC(=O)C1CC1(C)COC1CCN(C(=O)O)CC1
InChIInChI=1S/C14H23NO5/c1-3-19-12(16)11-8-14(11,2)9-20-10-4-6-15(7-5-10)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyIXLMPZXERGQNAT-UHFFFAOYSA-N
XLogP1.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278282
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid
CID 129301942
cis-ethyl (1S,2S)-2-hexyl-2-methylcyclopropane-1-carboxylate
CID 102020755
4-butoxypiperidine-1-carboxylic acid
CID 69380286
3-amino-4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 142793720
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119374903
4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326496
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid (CID 129278711) is 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid is CCOC(=O)C1CC1(C)COC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid?
The InChIKey is IXLMPZXERGQNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-3-19-12(16)11-8-14(11,2)9-20-10-4-6-15(7-5-10)13(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid?
4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 129278711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).