(1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate

C10H20N2O2 — CID 66760874

IUPAC(1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate
SMILESCC(C)(CN)OC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,7-11)14-9(13)8-4-3-5-12-6-8/h8,12H,3-7,11H2,1-2H3/t8-/m1/s1
InChIKeyULZUFJAOLJWOCK-MRVPVSSYSA-N
MW200.28 g/mol
LogP0.27
Rot. Bonds3

About (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate

(1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate (PubChem CID 66760874) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate
PubChem CID66760874
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate
SMILESCC(C)(CN)OC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,7-11)14-9(13)8-4-3-5-12-6-8/h8,12H,3-7,11H2,1-2H3/t8-/m1/s1
InChIKeyULZUFJAOLJWOCK-MRVPVSSYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-amino-2-methylpropan-2-yl) pyrrolidine-3-carboxylate
CID 66769266
3,3-dimethylbutyl (3R)-piperidine-3-carboxylate
CID 81119867
ethyl piperidine-3-carboxylate;tetrahydrochloride
CID 141165575
2-cyclopropylethyl (3R)-piperidine-3-carboxylate
CID 106202694
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
bismuthane;carbamodithioic acid;ethyl piperidine-3-carboxylate
CID 174731342
2-[2-(2-methoxyethoxy)ethoxy]ethyl piperidine-3-carboxylate
CID 104563241
ethane;ethyl (3R)-piperidine-3-carboxylate;(3R)-piperidine-3-carboxylic acid
CID 141098708
heptyl piperidine-3-carboxylate
CID 13360541
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
methyl piperidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 174559778

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate (CID 66760874) is (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate is CC(C)(CN)OC(=O)[C@@H]1CCCNC1.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate?
The InChIKey is ULZUFJAOLJWOCK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,7-11)14-9(13)8-4-3-5-12-6-8/h8,12H,3-7,11H2,1-2H3/t8-/m1/s1.
What are the key properties of (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate?
(1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) (3R)-piperidine-3-carboxylate is sourced from PubChem (CID 66760874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).