2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid

C12H22N2O4 — CID 69024931

IUPAC2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCC(CC(=O)O)NC1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-9-5-4-8(13-7-9)6-10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyXXTVXZYPOHAMEL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds3

About 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid

2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid (PubChem CID 69024931) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid
PubChem CID69024931
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCC(CC(=O)O)NC1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-9-5-4-8(13-7-9)6-10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyXXTVXZYPOHAMEL-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(6-ethylpiperidin-3-yl)carbamate
CID 118142563
(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 146082538
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
CID 22362314
2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid
CID 67270156
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxypropanoic acid
CID 169159895
[6-(hydroxymethyl)piperidin-3-yl]carbamoyl 3,3-dimethylbutanoate
CID 175304656
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid (CID 69024931) is 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid is CC(C)(C)OC(=O)NC1CCC(CC(=O)O)NC1.
What is the InChIKey of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid?
The InChIKey is XXTVXZYPOHAMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-9-5-4-8(13-7-9)6-10(15)16/h8-9,13H,4-7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid?
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid is sourced from PubChem (CID 69024931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).