[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid

C11H19N3O5 — CID 69017536

IUPAC[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CNC(=O)C[C@H]1NC(=O)O
InChIInChI=1S/C11H19N3O5/c1-11(2,3)19-10(18)14-7-5-12-8(15)4-6(7)13-9(16)17/h6-7,13H,4-5H2,1-3H3,(H,12,15)(H,14,18)(H,16,17)/t6-,7+/m1/s1
InChIKeyRVCUYAVIYDCNBK-RQJHMYQMSA-N
MW273.29 g/mol
LogP0.04
Rot. Bonds2

About [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid

[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid (PubChem CID 69017536) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
PubChem CID69017536
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CNC(=O)C[C@H]1NC(=O)O
InChIInChI=1S/C11H19N3O5/c1-11(2,3)19-10(18)14-7-5-12-8(15)4-6(7)13-9(16)17/h6-7,13H,4-5H2,1-3H3,(H,12,15)(H,14,18)(H,16,17)/t6-,7+/m1/s1
InChIKeyRVCUYAVIYDCNBK-RQJHMYQMSA-N
XLogP0.04
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate
CID 153340105
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
CID 134361248
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
CID 141220052
tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate
CID 130420312
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 22880752

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid?
The IUPAC name of [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid (CID 69017536) is [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid.
What is the SMILES notation for [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid?
The canonical SMILES for [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid is CC(C)(C)OC(=O)N[C@H]1CNC(=O)C[C@H]1NC(=O)O.
What is the InChIKey of [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid?
The InChIKey is RVCUYAVIYDCNBK-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(2,3)19-10(18)14-7-5-12-8(15)4-6(7)13-9(16)17/h6-7,13H,4-5H2,1-3H3,(H,12,15)(H,14,18)(H,16,17)/t6-,7+/m1/s1.
What are the key properties of [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid?
[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid has a molecular weight of 273.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid is sourced from PubChem (CID 69017536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).