1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid

C12H19NO4 — CID 129414775

IUPAC1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid
SMILESCCO[C@H]1C[C@H]1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19NO4/c1-2-17-10-7-9(10)11(14)13-5-3-8(4-6-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyGDVSRQLVDMUYOA-ZJUUUORDSA-N
MW241.29 g/mol
LogP0.73
Rot. Bonds4

About 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid

1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 129414775) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid
PubChem CID129414775
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid
SMILESCCO[C@H]1C[C@H]1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H19NO4/c1-2-17-10-7-9(10)11(14)13-5-3-8(4-6-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyGDVSRQLVDMUYOA-ZJUUUORDSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride
CID 119376824
1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 129467272
trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
CID 39872362
4-(2-ethoxycyclopropanecarbonyl)morpholine-2-carboxylic acid
CID 119239172
(2-ethoxycyclopropyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580771
2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125119114
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
1-[2-(3-ethoxycyclobutyl)acetyl]pyrrolidine-3-carboxylic acid
CID 103161885
(3R,3aR,6aR)-2-[(1S,2R)-2-ethoxycyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129468979
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
1-[(3-ethoxycyclobutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114120212
2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95573247

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid (CID 129414775) is 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid is CCO[C@H]1C[C@H]1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is GDVSRQLVDMUYOA-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19NO4/c1-2-17-10-7-9(10)11(14)13-5-3-8(4-6-13)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid?
1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-ethoxycyclopropanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 129414775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).