methyl (2S)-5-amino-2-methylpentanoate

C7H15NO2 — CID 88555940

IUPACmethyl (2S)-5-amino-2-methylpentanoate
SMILESCOC(=O)[C@@H](C)CCCN
InChIInChI=1S/C7H15NO2/c1-6(4-3-5-8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyQBPPRFJSYXDRQL-LURJTMIESA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds4

About methyl (2S)-5-amino-2-methylpentanoate

methyl (2S)-5-amino-2-methylpentanoate (PubChem CID 88555940) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl (2S)-5-amino-2-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-5-amino-2-methylpentanoate
PubChem CID88555940
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl (2S)-5-amino-2-methylpentanoate
SMILESCOC(=O)[C@@H](C)CCCN
InChIInChI=1S/C7H15NO2/c1-6(4-3-5-8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyQBPPRFJSYXDRQL-LURJTMIESA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791
methyl (2S)-2,6-dimethylheptanoate
CID 54536148
methyl (2S)-2,13-dimethyltetradecanoate
CID 169492700
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
methyl 5-amino-2-(chloromethylamino)pentanoate
CID 18177484
methyl 5-amino-2-(1-aminoethyl)pentanoate
CID 19005199
methyl (2S)-2-[(5-amino-2-methylpentanoyl)amino]-4-methylpentanoate
CID 104685550
ethane;methyl 2,5-diaminopentanoate
CID 142442335
methyl 2,6,10-trimethyltridecanoate
CID 560276
methyl 5-ethoxy-2-methylpentanoate
CID 123669552

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-amino-2-methylpentanoate?
The IUPAC name of methyl (2S)-5-amino-2-methylpentanoate (CID 88555940) is methyl (2S)-5-amino-2-methylpentanoate.
What is the SMILES notation for methyl (2S)-5-amino-2-methylpentanoate?
The canonical SMILES for methyl (2S)-5-amino-2-methylpentanoate is COC(=O)[C@@H](C)CCCN.
What is the InChIKey of methyl (2S)-5-amino-2-methylpentanoate?
The InChIKey is QBPPRFJSYXDRQL-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(4-3-5-8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-5-amino-2-methylpentanoate?
methyl (2S)-5-amino-2-methylpentanoate has a molecular weight of 145.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-amino-2-methylpentanoate is sourced from PubChem (CID 88555940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).