2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

C14H25NO4 — CID 57149143

IUPAC2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CC(=O)O
InChIInChI=1S/C14H25NO4/c1-5-10-9-15(13(18)19-14(2,3)4)7-6-11(10)8-12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyVNSVBLJYTBVHLR-QWRGUYRKSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds3

About 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (PubChem CID 57149143) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
PubChem CID57149143
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CC(=O)O
InChIInChI=1S/C14H25NO4/c1-5-10-9-15(13(18)19-14(2,3)4)7-6-11(10)8-12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyVNSVBLJYTBVHLR-QWRGUYRKSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (CID 57149143) is 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is VNSVBLJYTBVHLR-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-10-9-15(13(18)19-14(2,3)4)7-6-11(10)8-12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 57149143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).