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

C11H21N3O4 — CID 139434729

IUPAC3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)O)CC1N
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-9(15)13-8-4-5-14(10(16)17)6-7(8)12/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyOTYIKJXYJXGPCW-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.59
Rot. Bonds1

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

3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (PubChem CID 139434729) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
PubChem CID139434729
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)O)CC1N
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-9(15)13-8-4-5-14(10(16)17)6-7(8)12/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyOTYIKJXYJXGPCW-UHFFFAOYSA-N
XLogP0.59
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 91362762
(3R)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 175542895
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 67130134
4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxiran-2-ylmethoxy)piperidine-1-carboxylic acid
CID 87497220
(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 91321164
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylic acid
CID 68804723
tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate
CID 134435069
[(3S,4S)-1-(2-methoxyacetyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69015121

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (CID 139434729) is 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)NC1CCN(C(=O)O)CC1N.
What is the InChIKey of 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The InChIKey is OTYIKJXYJXGPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(2,3)18-9(15)13-8-4-5-14(10(16)17)6-7(8)12/h7-8H,4-6,12H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 139434729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).