4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid

C12H26N2O3 — CID 64694411

IUPAC4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid
SMILESCCC(CC)N(CCOC)C(CCN)C(=O)O
InChIInChI=1S/C12H26N2O3/c1-4-10(5-2)14(8-9-17-3)11(6-7-13)12(15)16/h10-11H,4-9,13H2,1-3H3,(H,15,16)
InChIKeyCZSFMVRIIXKENT-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.93
Rot. Bonds10

About 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid

4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid (PubChem CID 64694411) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid
PubChem CID64694411
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid
SMILESCCC(CC)N(CCOC)C(CCN)C(=O)O
InChIInChI=1S/C12H26N2O3/c1-4-10(5-2)14(8-9-17-3)11(6-7-13)12(15)16/h10-11H,4-9,13H2,1-3H3,(H,15,16)
InChIKeyCZSFMVRIIXKENT-UHFFFAOYSA-N
XLogP0.93
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
CID 64693788
4-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbutanamide
CID 80542973
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide
CID 66431664
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N-methylbutanamide
CID 66429475
ethyl 2-[butan-2-yl(2-methoxyethyl)amino]pentanoate
CID 83041497
3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
CID 64694814
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methylbutanoic acid
CID 55004791
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol
CID 104840396
2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide
CID 63577148
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
2-(dipropylamino)-4-methoxybutanoic acid
CID 79694443
2-(2-aminoethoxy)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 79474034

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid?
The IUPAC name of 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid (CID 64694411) is 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid.
What is the SMILES notation for 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid?
The canonical SMILES for 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid is CCC(CC)N(CCOC)C(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid?
The InChIKey is CZSFMVRIIXKENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-10(5-2)14(8-9-17-3)11(6-7-13)12(15)16/h10-11H,4-9,13H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid?
4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid has a molecular weight of 246.35 g/mol, XLogP of 0.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-methoxyethyl(pentan-3-yl)amino]butanoic acid is sourced from PubChem (CID 64694411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).