methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C11H22N2O4 — CID 15297683

IUPACmethyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)[C@H](N)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)13-7-5-6-8(12)9(14)16-4/h8H,5-7,12H2,1-4H3,(H,13,15)/t8-/m1/s1
InChIKeyHCMFAYWIEPRVJR-MRVPVSSYSA-N
MW246.31 g/mol
LogP0.79
Rot. Bonds5

About methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 15297683) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID15297683
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)[C@H](N)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)13-7-5-6-8(12)9(14)16-4/h8H,5-7,12H2,1-4H3,(H,13,15)/t8-/m1/s1
InChIKeyHCMFAYWIEPRVJR-MRVPVSSYSA-N
XLogP0.79
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 15297683) is methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)[C@H](N)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is HCMFAYWIEPRVJR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)13-7-5-6-8(12)9(14)16-4/h8H,5-7,12H2,1-4H3,(H,13,15)/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 246.31 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 15297683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).