methyl (2S)-4-amino-2-methylpentanoate

C7H15NO2 — CID 88911479

IUPACmethyl (2S)-4-amino-2-methylpentanoate
SMILESCOC(=O)[C@@H](C)CC(C)N
InChIInChI=1S/C7H15NO2/c1-5(4-6(2)8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6?/m0/s1
InChIKeyUOIXCXXFSRUMPB-ZBHICJROSA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds3

About methyl (2S)-4-amino-2-methylpentanoate

methyl (2S)-4-amino-2-methylpentanoate (PubChem CID 88911479) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl (2S)-4-amino-2-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-amino-2-methylpentanoate
PubChem CID88911479
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl (2S)-4-amino-2-methylpentanoate
SMILESCOC(=O)[C@@H](C)CC(C)N
InChIInChI=1S/C7H15NO2/c1-5(4-6(2)8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6?/m0/s1
InChIKeyUOIXCXXFSRUMPB-ZBHICJROSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134
CID 58391087
CID 58391087
methyl 6-hydroxy-2,4-dimethylheptanoate
CID 85176475
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
4-amino-2-methylpentanoic acid
CID 22105024
(2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid
CID 135735782
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
methyl (2R)-4-hydroxy-2-methylheptanoate
CID 174362500
1-deuterioundecyl (4R)-4-amino-2-methylpentanoate
CID 90724162

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-amino-2-methylpentanoate?
The IUPAC name of methyl (2S)-4-amino-2-methylpentanoate (CID 88911479) is methyl (2S)-4-amino-2-methylpentanoate.
What is the SMILES notation for methyl (2S)-4-amino-2-methylpentanoate?
The canonical SMILES for methyl (2S)-4-amino-2-methylpentanoate is COC(=O)[C@@H](C)CC(C)N.
What is the InChIKey of methyl (2S)-4-amino-2-methylpentanoate?
The InChIKey is UOIXCXXFSRUMPB-ZBHICJROSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(4-6(2)8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6?/m0/s1.
What are the key properties of methyl (2S)-4-amino-2-methylpentanoate?
methyl (2S)-4-amino-2-methylpentanoate has a molecular weight of 145.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-amino-2-methylpentanoate is sourced from PubChem (CID 88911479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).