3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid

C10H19NO4 — CID 134521229

IUPAC3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid
SMILESCCOC(=O)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C10H19NO4/c1-4-15-10(14)11(7-8(2)3)6-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyCXADTCLJLMXTHK-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.58
Rot. Bonds6

About 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid

3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid (PubChem CID 134521229) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid
PubChem CID134521229
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid
SMILESCCOC(=O)N(CCC(=O)O)CC(C)C
InChIInChI=1S/C10H19NO4/c1-4-15-10(14)11(7-8(2)3)6-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyCXADTCLJLMXTHK-UHFFFAOYSA-N
XLogP1.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid (CID 134521229) is 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid is CCOC(=O)N(CCC(=O)O)CC(C)C.
What is the InChIKey of 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid?
The InChIKey is CXADTCLJLMXTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-15-10(14)11(7-8(2)3)6-5-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid?
3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxycarbonyl(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 134521229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).