3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid

C11H22N2O3 — CID 64694814

IUPAC3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
SMILESCOCCN(C(CN)C(=O)O)C(C)C1CC1
InChIInChI=1S/C11H22N2O3/c1-8(9-3-4-9)13(5-6-16-2)10(7-12)11(14)15/h8-10H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyFEPLTISGIDRHKD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.15
Rot. Bonds8

About 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid

3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid (PubChem CID 64694814) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
PubChem CID64694814
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
SMILESCOCCN(C(CN)C(=O)O)C(C)C1CC1
InChIInChI=1S/C11H22N2O3/c1-8(9-3-4-9)13(5-6-16-2)10(7-12)11(14)15/h8-10H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyFEPLTISGIDRHKD-UHFFFAOYSA-N
XLogP0.15
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide
CID 66429028
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide
CID 63583142
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62462719
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 55004208
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methylbutanoic acid
CID 55004791
2-[1-cyclopropylethyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 54947081
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
4-amino-2-[butan-2-yl(2-methoxyethyl)amino]butanoic acid
CID 64693788
2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 116504058
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
CID 62637212
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207
2-amino-2-[2-[1-cyclopropylethyl(2-methoxyethyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 104527701

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid?
The IUPAC name of 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid (CID 64694814) is 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid?
The canonical SMILES for 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid is COCCN(C(CN)C(=O)O)C(C)C1CC1.
What is the InChIKey of 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid?
The InChIKey is FEPLTISGIDRHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(9-3-4-9)13(5-6-16-2)10(7-12)11(14)15/h8-10H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid?
3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid is sourced from PubChem (CID 64694814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).