2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid

C10H20N2O5 — CID 114227516

IUPAC2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid
SMILESCCOC(CN)CC(=O)NC(COC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-3-17-7(5-11)4-9(13)12-8(6-16-2)10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWMPVCYBFMGIBNM-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.04
Rot. Bonds9

About 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid

2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid (PubChem CID 114227516) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid
PubChem CID114227516
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid
SMILESCCOC(CN)CC(=O)NC(COC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-3-17-7(5-11)4-9(13)12-8(6-16-2)10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWMPVCYBFMGIBNM-UHFFFAOYSA-N
XLogP-1.04
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid (CID 114227516) is 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid is CCOC(CN)CC(=O)NC(COC)C(=O)O.
What is the InChIKey of 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid?
The InChIKey is WMPVCYBFMGIBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-3-17-7(5-11)4-9(13)12-8(6-16-2)10(14)15/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid?
2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid has a molecular weight of 248.28 g/mol, XLogP of -1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-ethoxybutanoyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 114227516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).