(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

C12H22N2O5 — CID 68685576

IUPAC(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCO[C@@H]1CN(C(=O)O)CC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-10(15)13-8-5-6-14(11(16)17)7-9(8)18-4/h8-9H,5-7H2,1-4H3,(H,13,15)(H,16,17)/t8-,9+/m0/s1
InChIKeyVMZXPHKKHPKLJD-DTWKUNHWSA-N
MW274.32 g/mol
LogP1.28
Rot. Bonds2

About (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid

(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (PubChem CID 68685576) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
PubChem CID68685576
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
SMILESCO[C@@H]1CN(C(=O)O)CC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-10(15)13-8-5-6-14(11(16)17)7-9(8)18-4/h8-9H,5-7H2,1-4H3,(H,13,15)(H,16,17)/t8-,9+/m0/s1
InChIKeyVMZXPHKKHPKLJD-DTWKUNHWSA-N
XLogP1.28
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The IUPAC name of (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid (CID 68685576) is (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is CO[C@@H]1CN(C(=O)O)CC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
The InChIKey is VMZXPHKKHPKLJD-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(2,3)19-10(15)13-8-5-6-14(11(16)17)7-9(8)18-4/h8-9H,5-7H2,1-4H3,(H,13,15)(H,16,17)/t8-,9+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid?
(3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68685576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).