(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C16H30N2O6 — CID 57193090

IUPAC(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)N[C@](CCCCN)(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O6/c1-14(2,3)23-12(21)16(11(19)20,9-7-8-10-17)18-13(22)24-15(4,5)6/h7-10,17H2,1-6H3,(H,18,22)(H,19,20)/t16-/m1/s1
InChIKeyVMHAIFQXMJRPCS-MRXNPFEDSA-N
MW346.42 g/mol
LogP1.81
Rot. Bonds7

About (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 57193090) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID57193090
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)N[C@](CCCCN)(C(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O6/c1-14(2,3)23-12(21)16(11(19)20,9-7-8-10-17)18-13(22)24-15(4,5)6/h7-10,17H2,1-6H3,(H,18,22)(H,19,20)/t16-/m1/s1
InChIKeyVMHAIFQXMJRPCS-MRXNPFEDSA-N
XLogP1.81
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 57193090) is (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)(C)OC(=O)N[C@](CCCCN)(C(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is VMHAIFQXMJRPCS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-14(2,3)23-12(21)16(11(19)20,9-7-8-10-17)18-13(22)24-15(4,5)6/h7-10,17H2,1-6H3,(H,18,22)(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 346.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 57193090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).