2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid

C14H26N2O4 — CID 67270156

IUPAC2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid
SMILESCCC(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C14H26N2O4/c1-5-10(12(17)18)11-7-6-9(8-15-11)16-13(19)20-14(2,3)4/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)/t9-,10?,11-/m1/s1
InChIKeyQBCLNBHQULWZCO-GLYLRITDSA-N
MW286.37 g/mol
LogP1.74
Rot. Bonds4

About 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid

2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid (PubChem CID 67270156) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid.

Molecular Properties

Compound Name2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid
PubChem CID67270156
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid
SMILESCCC(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C14H26N2O4/c1-5-10(12(17)18)11-7-6-9(8-15-11)16-13(19)20-14(2,3)4/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)/t9-,10?,11-/m1/s1
InChIKeyQBCLNBHQULWZCO-GLYLRITDSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid with MolForge

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Related Compounds

(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 146082538
tert-butyl N-(6-ethylpiperidin-3-yl)carbamate
CID 118142563
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid
CID 69024931
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
CID 22362314
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[4-(1-cyclopropylpropylamino)cyclohexyl]carbamate
CID 103785661
tert-butyl N-[4-(1,3-dihydroxypropan-2-yl)cyclohexyl]carbamate
CID 176824150
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[(4S)-diselenan-4-yl]carbamate
CID 171580666

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid?
The IUPAC name of 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid (CID 67270156) is 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid.
What is the SMILES notation for 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid?
The canonical SMILES for 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid is CCC(C(=O)O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1.
What is the InChIKey of 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid?
The InChIKey is QBCLNBHQULWZCO-GLYLRITDSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-10(12(17)18)11-7-6-9(8-15-11)16-13(19)20-14(2,3)4/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)/t9-,10?,11-/m1/s1.
What are the key properties of 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid?
2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid is sourced from PubChem (CID 67270156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).