methyl (2R)-2-amino-6-hydroxyhexanoate

C7H15NO3 — CID 129365766

IUPACmethyl (2R)-2-amino-6-hydroxyhexanoate
SMILESCOC(=O)[C@H](N)CCCCO
InChIInChI=1S/C7H15NO3/c1-11-7(10)6(8)4-2-3-5-9/h6,9H,2-5,8H2,1H3/t6-/m1/s1
InChIKeyTYGJRVXIEXIONP-ZCFIWIBFSA-N
MW161.20 g/mol
LogP-0.35
Rot. Bonds5

About methyl (2R)-2-amino-6-hydroxyhexanoate

methyl (2R)-2-amino-6-hydroxyhexanoate (PubChem CID 129365766) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl (2R)-2-amino-6-hydroxyhexanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-6-hydroxyhexanoate
PubChem CID129365766
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl (2R)-2-amino-6-hydroxyhexanoate
SMILESCOC(=O)[C@H](N)CCCCO
InChIInChI=1S/C7H15NO3/c1-11-7(10)6(8)4-2-3-5-9/h6,9H,2-5,8H2,1H3/t6-/m1/s1
InChIKeyTYGJRVXIEXIONP-ZCFIWIBFSA-N
XLogP-0.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-4-[(3-amino-4-methoxy-4-oxobutyl)-(4-hydroxybutyl)amino]butanoate
CID 59716022
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
methyl 2-aminoheptadecanoate
CID 140839752
methyl (2S)-2-aminohexanoate
CID 7018840
methyl 2-amino-5-fluoropentanoate
CID 81106108
ethane;methyl 2,5-diaminopentanoate
CID 142442335
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346
methyl 6-hydroxy-2-propylhexanoate
CID 176968447
methyl 2,6-diaminohexanoate;prop-1-yne
CID 144623204
methyl 2-aminooct-7-ynoate;hydrochloride
CID 86635083
methyl 2-amino-6-(2-aminopentanoyloxy)hexanoate
CID 155586890

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-6-hydroxyhexanoate?
The IUPAC name of methyl (2R)-2-amino-6-hydroxyhexanoate (CID 129365766) is methyl (2R)-2-amino-6-hydroxyhexanoate.
What is the SMILES notation for methyl (2R)-2-amino-6-hydroxyhexanoate?
The canonical SMILES for methyl (2R)-2-amino-6-hydroxyhexanoate is COC(=O)[C@H](N)CCCCO.
What is the InChIKey of methyl (2R)-2-amino-6-hydroxyhexanoate?
The InChIKey is TYGJRVXIEXIONP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO3/c1-11-7(10)6(8)4-2-3-5-9/h6,9H,2-5,8H2,1H3/t6-/m1/s1.
What are the key properties of methyl (2R)-2-amino-6-hydroxyhexanoate?
methyl (2R)-2-amino-6-hydroxyhexanoate has a molecular weight of 161.20 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-6-hydroxyhexanoate is sourced from PubChem (CID 129365766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).