methyl (2S)-2-aminohexanoate

C7H15NO2 — CID 7018840

IUPACmethyl (2S)-2-aminohexanoate
SMILESCCCC[C@H](N)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyTVZNFYXAPXOARC-LURJTMIESA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds4

About methyl (2S)-2-aminohexanoate

methyl (2S)-2-aminohexanoate (PubChem CID 7018840) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl (2S)-2-aminohexanoate.

Molecular Properties

Compound Namemethyl (2S)-2-aminohexanoate
PubChem CID7018840
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl (2S)-2-aminohexanoate
SMILESCCCC[C@H](N)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyTVZNFYXAPXOARC-LURJTMIESA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl 2-aminoheptadecanoate
CID 140839752
methyl 2-aminopentanoate
CID 533890
methyl (E)-2-aminododec-6-enoate
CID 175078394
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
methyl (Z)-2-aminohexadec-9-enoate
CID 150010040
methyl (Z)-2-aminooctadec-9-enoate
CID 160622893
methyl (2S)-2,6-diamino-7-oxoicosanoate
CID 163979090
methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate
CID 155586890
methyl 2-amino-4-(dibutylamino)butanoate
CID 63028607
methyl (2S)-2-aminooctanoate;2,2,2-trifluoroacetic acid
CID 25131812

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-aminohexanoate?
The IUPAC name of methyl (2S)-2-aminohexanoate (CID 7018840) is methyl (2S)-2-aminohexanoate.
What is the SMILES notation for methyl (2S)-2-aminohexanoate?
The canonical SMILES for methyl (2S)-2-aminohexanoate is CCCC[C@H](N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-aminohexanoate?
The InChIKey is TVZNFYXAPXOARC-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-2-aminohexanoate?
methyl (2S)-2-aminohexanoate has a molecular weight of 145.20 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-aminohexanoate is sourced from PubChem (CID 7018840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).