2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid

C13H23NO4 — CID 115048062

IUPAC2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
SMILESCC1(CC(=O)O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-7-5-6-13(4,9-14)8-10(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKeyOPGXMQABXLZLEC-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.50
Rot. Bonds2

About 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid

2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid (PubChem CID 115048062) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
PubChem CID115048062
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
SMILESCC1(CC(=O)O)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-7-5-6-13(4,9-14)8-10(15)16/h5-9H2,1-4H3,(H,15,16)
InChIKeyOPGXMQABXLZLEC-UHFFFAOYSA-N
XLogP2.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
7-[(Tert-butoxy)carbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 53488162
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)acetic acid
CID 4115028
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid
CID 1502006
(S)-2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid
CID 1502084
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 1502085
N-Boc-3-methyl-4-piperidinecarboxylic acid
CID 4248616
4-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)butanoic acid
CID 10400987
1-[(Tert-butoxy)carbonyl]-4,4-dimethylpiperidine-2-carboxylic acid
CID 10515301
5-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)pentanoic acid
CID 10731873

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid (CID 115048062) is 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid is CC1(CC(=O)O)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The InChIKey is OPGXMQABXLZLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-7-5-6-13(4,9-14)8-10(15)16/h5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 115048062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).