tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate

C12H25NO3 — CID 91539834

IUPACtert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
SMILESC[C@H](OC(C)(C)C)[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3/t8-,9-/m0/s1
InChIKeyPPDIUNOGUIAFLV-IUCAKERBSA-N
MW231.34 g/mol
LogP1.86
Rot. Bonds3

About tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate

tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 91539834) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID91539834
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nametert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
SMILESC[C@H](OC(C)(C)C)[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3/t8-,9-/m0/s1
InChIKeyPPDIUNOGUIAFLV-IUCAKERBSA-N
XLogP1.86
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
prop-2-enyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630010
prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630009
(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 153463762
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 88525633
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
ditert-butyl 2,3-bis(deuterioamino)butanedioate
CID 175944485
(2S,3R)-N-(2-acetamidoethyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 114274672
tert-butyl 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoate;hydrochloride
CID 44717552
ditert-butyl 2-amino-3-(aminomethyl)butanedioate
CID 154956810

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate (CID 91539834) is tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate is C[C@H](OC(C)(C)C)[C@H](N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is PPDIUNOGUIAFLV-IUCAKERBSA-N. The full InChI is InChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3/t8-,9-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate?
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate has a molecular weight of 231.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 91539834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).