4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid

C14H24N2O6 — CID 87497220

IUPAC4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)O)CC1OCC1CO1
InChIInChI=1S/C14H24N2O6/c1-14(2,3)22-12(17)15-10-4-5-16(13(18)19)6-11(10)21-8-9-7-20-9/h9-11H,4-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyKCKNXLCFDDMCMJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.05
Rot. Bonds4

About 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid (PubChem CID 87497220) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid
PubChem CID87497220
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)O)CC1OCC1CO1
InChIInChI=1S/C14H24N2O6/c1-14(2,3)22-12(17)15-10-4-5-16(13(18)19)6-11(10)21-8-9-7-20-9/h9-11H,4-8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyKCKNXLCFDDMCMJ-UHFFFAOYSA-N
XLogP1.05
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 139434729
(3R)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 175542895
(3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 91362762
4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 67130134
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
(3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-prop-2-enoxypyrrolidine-1-carboxylic acid
CID 67286151
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propan-2-yloxypyrrolidine-1-carboxylic acid
CID 175605638
(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
CID 68684608
(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 91321164
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperidine-1-carboxylic acid
CID 129278997

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid (CID 87497220) is 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid is CC(C)(C)OC(=O)NC1CCN(C(=O)O)CC1OCC1CO1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid?
The InChIKey is KCKNXLCFDDMCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-14(2,3)22-12(17)15-10-4-5-16(13(18)19)6-11(10)21-8-9-7-20-9/h9-11H,4-8H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid has a molecular weight of 316.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 87497220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).