(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid

C11H20N2O4 — CID 51922329

IUPAC(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@]1(C(=O)O)CCCNC1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)5-4-6-12-7-11/h12H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t11-/m1/s1
InChIKeyZCUAYUYDQUTSDE-LLVKDONJSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds2

About (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid (PubChem CID 51922329) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
PubChem CID51922329
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@]1(C(=O)O)CCCNC1
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)5-4-6-12-7-11/h12H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t11-/m1/s1
InChIKeyZCUAYUYDQUTSDE-LLVKDONJSA-N
XLogP0.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid (CID 51922329) is (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCCNC1.
What is the InChIKey of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
The InChIKey is ZCUAYUYDQUTSDE-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-11(8(14)15)5-4-6-12-7-11/h12H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t11-/m1/s1.
What are the key properties of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid is sourced from PubChem (CID 51922329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).