2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid

C10H20N2O5 — CID 560335

IUPAC2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid
SMILESCOC(C)C(N)C(=O)NC(C(=O)O)C(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)
InChIKeyYXWZKYGGDWGRIX-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.05
Rot. Bonds7

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

2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid (PubChem CID 560335) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid
PubChem CID560335
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid
SMILESCOC(C)C(N)C(=O)NC(C(=O)O)C(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)
InChIKeyYXWZKYGGDWGRIX-UHFFFAOYSA-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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Related Compounds

CID 6992640
CID 6992640
CID 6427004
CID 6427004
CID 7006473
CID 7006473
CID 351980
CID 351980
CID 7020159
CID 7020159
CID 7020902
CID 7020902
CID 7016067
CID 7016067
CID 7016065
CID 7016065
CID 155903250
CID 155903250
CID 139506
CID 139506
CID 7010578
CID 7010578
CID 10330086
CID 10330086

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid?
The IUPAC name of 2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid (CID 560335) is 2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid is COC(C)C(N)C(=O)NC(C(=O)O)C(C)OC.
What is the InChIKey of 2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid?
The InChIKey is YXWZKYGGDWGRIX-UHFFFAOYSA-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).
What are the key properties of 2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid?
2-[(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 2-[(2-amino-3-methoxybutanoyl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 560335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).