(2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid

C10H20N2O5 — CID 54533098

IUPAC(2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid
SMILESCO[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](C)OC
InChIInChI=1S/C10H20N2O5/c1-5(16-3)7(11)9(13)12-8(10(14)15)6(2)17-4/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t5-,6-,7+,8+/m1/s1
InChIKeyYXWZKYGGDWGRIX-NGJRWZKOSA-N
MW248.28 g/mol
LogP-1.05
Rot. Bonds7

About (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid

(2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid (PubChem CID 54533098) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid
PubChem CID54533098
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name(2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid
SMILESCO[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](C)OC
InChIInChI=1S/C10H20N2O5/c1-5(16-3)7(11)9(13)12-8(10(14)15)6(2)17-4/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t5-,6-,7+,8+/m1/s1
InChIKeyYXWZKYGGDWGRIX-NGJRWZKOSA-N
XLogP-1.05
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid?
The IUPAC name of (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid (CID 54533098) is (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid is CO[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@@H](C)OC.
What is the InChIKey of (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid?
The InChIKey is YXWZKYGGDWGRIX-NGJRWZKOSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-5(16-3)7(11)9(13)12-8(10(14)15)6(2)17-4/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t5-,6-,7+,8+/m1/s1.
What are the key properties of (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid?
(2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid has a molecular weight of 248.28 g/mol, XLogP of -1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[[(2S,3R)-2-amino-3-methoxybutanoyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 54533098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).