prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate

C11H21NO3 — CID 124630009

IUPACprop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
SMILESC=CCOC(=O)[C@@H](N)[C@H](C)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-14-10(13)9(12)8(2)15-11(3,4)5/h6,8-9H,1,7,12H2,2-5H3/t8-,9-/m0/s1
InChIKeySDTMVIKHZLMJBS-IUCAKERBSA-N
MW215.29 g/mol
LogP1.25
Rot. Bonds5

About prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate

prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 124630009) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID124630009
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameprop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
SMILESC=CCOC(=O)[C@@H](N)[C@H](C)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-14-10(13)9(12)8(2)15-11(3,4)5/h6,8-9H,1,7,12H2,2-5H3/t8-,9-/m0/s1
InChIKeySDTMVIKHZLMJBS-IUCAKERBSA-N
XLogP1.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630010
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
prop-2-enyl 2-aminopropanoate
CID 91515395
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoic acid
CID 139208969
3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoic acid
CID 146584539
prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate
CID 11401049
(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 153463762
(2S,3R)-N-(2-acetamidoethyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 114274672
(2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 71360530
CID 58877383
CID 58877383
prop-2-enyl 2-methylpent-4-enoate
CID 59817388

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate (CID 124630009) is prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate is C=CCOC(=O)[C@@H](N)[C@H](C)OC(C)(C)C.
What is the InChIKey of prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is SDTMVIKHZLMJBS-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-7-14-10(13)9(12)8(2)15-11(3,4)5/h6,8-9H,1,7,12H2,2-5H3/t8-,9-/m0/s1.
What are the key properties of prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate?
prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate has a molecular weight of 215.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 124630009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).