(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

C11H20N2O4 — CID 11172593

IUPAC(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN[C@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-4-5-12-8(6-7)9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyDRBVUSUGMQAMIV-SFYZADRCSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds2

About (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid

(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (PubChem CID 11172593) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
PubChem CID11172593
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN[C@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-4-5-12-8(6-7)9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyDRBVUSUGMQAMIV-SFYZADRCSA-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 (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid (CID 11172593) is (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1CCN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
The InChIKey is DRBVUSUGMQAMIV-SFYZADRCSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-7-4-5-12-8(6-7)9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid?
(2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-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 (2S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid is sourced from PubChem (CID 11172593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).