methyl 2-aminopentanoate

C6H13NO2 — CID 533890

IUPACmethyl 2-aminopentanoate
SMILESCCCC(N)C(=O)OC
InChIInChI=1S/C6H13NO2/c1-3-4-5(7)6(8)9-2/h5H,3-4,7H2,1-2H3
InChIKeyVXGRMCZTYDXKQW-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.29
Rot. Bonds3

About methyl 2-aminopentanoate

methyl 2-aminopentanoate (PubChem CID 533890) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is methyl 2-aminopentanoate.

Molecular Properties

Compound Namemethyl 2-aminopentanoate
PubChem CID533890
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namemethyl 2-aminopentanoate
SMILESCCCC(N)C(=O)OC
InChIInChI=1S/C6H13NO2/c1-3-4-5(7)6(8)9-2/h5H,3-4,7H2,1-2H3
InChIKeyVXGRMCZTYDXKQW-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-aminohexanoate
CID 7018840
methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate
CID 155586890
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl 2-aminoheptadecanoate
CID 140839752
methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl (2S)-2-amino-4-sulfanylbutanoate;hydrochloride
CID 142639928
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
methyl 2-amino-4-(dibutylamino)butanoate
CID 63028607

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminopentanoate?
The IUPAC name of methyl 2-aminopentanoate (CID 533890) is methyl 2-aminopentanoate.
What is the SMILES notation for methyl 2-aminopentanoate?
The canonical SMILES for methyl 2-aminopentanoate is CCCC(N)C(=O)OC.
What is the InChIKey of methyl 2-aminopentanoate?
The InChIKey is VXGRMCZTYDXKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-4-5(7)6(8)9-2/h5H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-aminopentanoate?
methyl 2-aminopentanoate has a molecular weight of 131.17 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminopentanoate is sourced from PubChem (CID 533890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).