1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate

C7H15NO4 — CID 107837627

IUPAC1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate
SMILESCOCC(C)OC(=O)[C@@H](O)CN
InChIInChI=1S/C7H15NO4/c1-5(4-11-2)12-7(10)6(9)3-8/h5-6,9H,3-4,8H2,1-2H3/t5?,6-/m0/s1
InChIKeyAMTNWRSHZPMFKA-GDVGLLTNSA-N
MW177.20 g/mol
LogP-1.12
Rot. Bonds5

About 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate

1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate (PubChem CID 107837627) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate
PubChem CID107837627
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate
SMILESCOCC(C)OC(=O)[C@@H](O)CN
InChIInChI=1S/C7H15NO4/c1-5(4-11-2)12-7(10)6(9)3-8/h5-6,9H,3-4,8H2,1-2H3/t5?,6-/m0/s1
InChIKeyAMTNWRSHZPMFKA-GDVGLLTNSA-N
XLogP-1.12
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-methoxypropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 122538818
1-methoxypropan-2-yl 2-sulfanylpropanoate
CID 91488591
2-methoxyethyl 3-amino-2-hydroxypropanoate
CID 66165602
1-methoxypropan-2-yl 2-ethoxypropanoate
CID 88537715
1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927421
2-(2-hydroxybutanoyloxy)propyl 2-hydroxybutanoate
CID 122574253
1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
CID 107825394
1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate
CID 88537567
2-O,3-O-bis(1-methoxypropan-2-yl) 1-O,4-O-dimethyl butane-1,2,3,4-tetracarboxylate
CID 58177628
bis(1-methoxypropan-2-yl) (E)-but-2-enedioate
CID 19782902
1-methoxypropan-2-yl (Z)-2,5-diaminohex-3-enoate
CID 154468834
butan-2-yl 4-amino-2-hydroxybutanoate
CID 107837492

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate?
The IUPAC name of 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate (CID 107837627) is 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate.
What is the SMILES notation for 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate?
The canonical SMILES for 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate is COCC(C)OC(=O)[C@@H](O)CN.
What is the InChIKey of 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate?
The InChIKey is AMTNWRSHZPMFKA-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H15NO4/c1-5(4-11-2)12-7(10)6(9)3-8/h5-6,9H,3-4,8H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate?
1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate has a molecular weight of 177.20 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate is sourced from PubChem (CID 107837627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).