methyl (4S)-4-aminohexanoate

C7H15NO2 — CID 130019319

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

About methyl (4S)-4-aminohexanoate

methyl (4S)-4-aminohexanoate (PubChem CID 130019319) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl (4S)-4-aminohexanoate.

Molecular Properties

Compound Namemethyl (4S)-4-aminohexanoate
PubChem CID130019319
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl (4S)-4-aminohexanoate
SMILESCC[C@H](N)CCC(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-6(8)4-5-7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKeyLMJWEIKKAPABPQ-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 4-amino-6-methylheptanoate;hydrochloride
CID 87306139
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl 4-amino-4-bromobutanoate
CID 175158187
methyl 4-amino-5-formyloxypentanoate
CID 58299455
methyl (4S)-4-amino-5-oxohexanoate
CID 91096561
4-amino-N-methylhexanamide
CID 118906510
methyl (4R)-4-ethyl-6-hydroxyhexanoate
CID 118890197
(1-amino-4-methoxy-4-oxobutyl)boronic acid
CID 18509192
dimethyl 4-methylheptanedioate
CID 521222
methyl 4-amino-5,5-difluoropentanoate;hydrochloride
CID 105455860
methyl (4R)-4-aminohex-5-ynoate
CID 88718815
methyl (4R)-4-formylhexanoate
CID 12728710

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-aminohexanoate?
The IUPAC name of methyl (4S)-4-aminohexanoate (CID 130019319) is methyl (4S)-4-aminohexanoate.
What is the SMILES notation for methyl (4S)-4-aminohexanoate?
The canonical SMILES for methyl (4S)-4-aminohexanoate is CC[C@H](N)CCC(=O)OC.
What is the InChIKey of methyl (4S)-4-aminohexanoate?
The InChIKey is LMJWEIKKAPABPQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-6(8)4-5-7(9)10-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (4S)-4-aminohexanoate?
methyl (4S)-4-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 (4S)-4-aminohexanoate is sourced from PubChem (CID 130019319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).