1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid

C16H24N4O4 — CID 122012092

IUPAC1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C16H24N4O4/c1-2-20-10-12(8-17-20)14-13(5-7-24-14)18-16(23)19-6-3-4-11(9-19)15(21)22/h8,10-11,13-14H,2-7,9H2,1H3,(H,18,23)(H,21,22)/t11?,13-,14+/m0/s1
InChIKeyZWKSWUPCJUHDFM-SBKAZOPESA-N
MW336.39 g/mol
LogP1.24
Rot. Bonds4

About 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122012092) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122012092
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCCC(C(=O)O)C2)cn1
InChIInChI=1S/C16H24N4O4/c1-2-20-10-12(8-17-20)14-13(5-7-24-14)18-16(23)19-6-3-4-11(9-19)15(21)22/h8,10-11,13-14H,2-7,9H2,1H3,(H,18,23)(H,21,22)/t11?,13-,14+/m0/s1
InChIKeyZWKSWUPCJUHDFM-SBKAZOPESA-N
XLogP1.24
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 164631338
(3S,4S)-1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122012094
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 128914803
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 86817438
(2R)-4-methyl-2-[[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolane-3-carbonyl]amino]pentanoic acid
CID 121927470
(2R)-2-[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]amino]-4-methylpentanoic acid
CID 121927471
2-[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]amino]hexanoic acid
CID 121929677
2-[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]amino]pentanoic acid
CID 121930125
(2S)-2-[[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]amino]hexanoic acid
CID 121932915
1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122012095
cis-(1S,3R)-3-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066894
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolane-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117008

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122012092) is 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid is CCn1cc([C@H]2OCC[C@@H]2NC(=O)N2CCCC(C(=O)O)C2)cn1.
What is the InChIKey of 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ZWKSWUPCJUHDFM-SBKAZOPESA-N. The full InChI is InChI=1S/C16H24N4O4/c1-2-20-10-12(8-17-20)14-13(5-7-24-14)18-16(23)19-6-3-4-11(9-19)15(21)22/h8,10-11,13-14H,2-7,9H2,1H3,(H,18,23)(H,21,22)/t11?,13-,14+/m0/s1.
What are the key properties of 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122012092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).