2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid

C9H20N2O3 — CID 63054993

IUPAC2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid
SMILESCCN(CCOC)CCC(N)C(=O)O
InChIInChI=1S/C9H20N2O3/c1-3-11(6-7-14-2)5-4-8(10)9(12)13/h8H,3-7,10H2,1-2H3,(H,12,13)
InChIKeyJBLPXNURLYFKBO-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.24
Rot. Bonds8

About 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid

2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid (PubChem CID 63054993) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid
PubChem CID63054993
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid
SMILESCCN(CCOC)CCC(N)C(=O)O
InChIInChI=1S/C9H20N2O3/c1-3-11(6-7-14-2)5-4-8(10)9(12)13/h8H,3-7,10H2,1-2H3,(H,12,13)
InChIKeyJBLPXNURLYFKBO-UHFFFAOYSA-N
XLogP-0.24
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid (CID 63054993) is 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid is CCN(CCOC)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid?
The InChIKey is JBLPXNURLYFKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-3-11(6-7-14-2)5-4-8(10)9(12)13/h8H,3-7,10H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid?
2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid has a molecular weight of 204.27 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid is sourced from PubChem (CID 63054993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).