1-methoxypropan-2-yl (2S)-2-aminohexanoate

C10H21NO3 — CID 107145228

IUPAC1-methoxypropan-2-yl (2S)-2-aminohexanoate
SMILESCCCC[C@H](N)C(=O)OC(C)COC
InChIInChI=1S/C10H21NO3/c1-4-5-6-9(11)10(12)14-8(2)7-13-3/h8-9H,4-7,11H2,1-3H3/t8?,9-/m0/s1
InChIKeyJWLGWTSBAKYXRI-GKAPJAKFSA-N
MW203.28 g/mol
LogP1.08
Rot. Bonds7

About 1-methoxypropan-2-yl (2S)-2-aminohexanoate

1-methoxypropan-2-yl (2S)-2-aminohexanoate (PubChem CID 107145228) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-methoxypropan-2-yl (2S)-2-aminohexanoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl (2S)-2-aminohexanoate
PubChem CID107145228
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name1-methoxypropan-2-yl (2S)-2-aminohexanoate
SMILESCCCC[C@H](N)C(=O)OC(C)COC
InChIInChI=1S/C10H21NO3/c1-4-5-6-9(11)10(12)14-8(2)7-13-3/h8-9H,4-7,11H2,1-3H3/t8?,9-/m0/s1
InChIKeyJWLGWTSBAKYXRI-GKAPJAKFSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
CID 107825394
1-(2,3,3-trimethylbutan-2-yloxy)propan-2-yl 2-aminohexanoate
CID 146555056
3-(1-methoxypropan-2-yloxycarbonyl)heptanoic acid
CID 118434133
methyl (2S)-2-aminohexanoate
CID 7018840
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809
hexadecan-2-yl (2S)-2,6-diaminohexanoate
CID 56638028
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
1-methoxypropan-2-yl acetate;pentanoic acid
CID 175986355
2-ethylhexyl 2-amino-5-methoxypentanoate
CID 81086073
hexadecyl (2S)-2-aminohexanoate
CID 10808138
[(2S)-1-methoxypropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 122538818
1-methoxypropan-2-yl icosanoate
CID 91752077

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl (2S)-2-aminohexanoate?
The IUPAC name of 1-methoxypropan-2-yl (2S)-2-aminohexanoate (CID 107145228) is 1-methoxypropan-2-yl (2S)-2-aminohexanoate.
What is the SMILES notation for 1-methoxypropan-2-yl (2S)-2-aminohexanoate?
The canonical SMILES for 1-methoxypropan-2-yl (2S)-2-aminohexanoate is CCCC[C@H](N)C(=O)OC(C)COC.
What is the InChIKey of 1-methoxypropan-2-yl (2S)-2-aminohexanoate?
The InChIKey is JWLGWTSBAKYXRI-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-5-6-9(11)10(12)14-8(2)7-13-3/h8-9H,4-7,11H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of 1-methoxypropan-2-yl (2S)-2-aminohexanoate?
1-methoxypropan-2-yl (2S)-2-aminohexanoate has a molecular weight of 203.28 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl (2S)-2-aminohexanoate is sourced from PubChem (CID 107145228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).