methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate

C9H17NO4 — CID 160630630

IUPACmethyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
SMILESCOC(=O)N[C@@](C)(C(=O)OC)C(C)C
InChIInChI=1S/C9H17NO4/c1-6(2)9(3,7(11)13-4)10-8(12)14-5/h6H,1-5H3,(H,10,12)/t9-/m1/s1
InChIKeyRHWMUDZRQAGEOA-SECBINFHSA-N
MW203.24 g/mol
LogP0.93
Rot. Bonds3

About methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate

methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate (PubChem CID 160630630) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
PubChem CID160630630
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate
SMILESCOC(=O)N[C@@](C)(C(=O)OC)C(C)C
InChIInChI=1S/C9H17NO4/c1-6(2)9(3,7(11)13-4)10-8(12)14-5/h6H,1-5H3,(H,10,12)/t9-/m1/s1
InChIKeyRHWMUDZRQAGEOA-SECBINFHSA-N
XLogP0.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,3-dimethyl-2-(phenoxycarbonylamino)butanoate
CID 174910098
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791
methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate
CID 18413307
methyl 2-[2-(4-bromophenyl)propanoylamino]-2,3-dimethylbutanoate
CID 15457270
methyl (2R)-2-ethyl-2,3-dimethylbutanoate
CID 118967887
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
dimethyl 2,2-di(propan-2-yl)propanedioate
CID 22899345
methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate
CID 11424486
methyl 2-methoxy-2,3-dimethylbutanoate
CID 59972485
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259
tert-butyl (2S)-2-[[(2S)-2-amino-2,3-dimethylbutanoyl]amino]-2,3-dimethylbutanoate
CID 11415372
dimethyl 2-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
CID 142256779

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate?
The IUPAC name of methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate (CID 160630630) is methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate.
What is the SMILES notation for methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate?
The canonical SMILES for methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate is COC(=O)N[C@@](C)(C(=O)OC)C(C)C.
What is the InChIKey of methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate?
The InChIKey is RHWMUDZRQAGEOA-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(2)9(3,7(11)13-4)10-8(12)14-5/h6H,1-5H3,(H,10,12)/t9-/m1/s1.
What are the key properties of methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate?
methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate has a molecular weight of 203.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(methoxycarbonylamino)-2,3-dimethylbutanoate is sourced from PubChem (CID 160630630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).