(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid

C8H17NO3 — CID 6951357

IUPAC(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESC[C@@H](OC(C)(C)C)[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyNMJINEMBBQVPGY-RITPCOANSA-N
MW175.23 g/mol
LogP0.60
Rot. Bonds3

About (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid

(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 6951357) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID6951357
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESC[C@@H](OC(C)(C)C)[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyNMJINEMBBQVPGY-RITPCOANSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 6951357) is (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid is C[C@@H](OC(C)(C)C)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is NMJINEMBBQVPGY-RITPCOANSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 6951357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).