4-[ethoxycarbonyl(methyl)amino]butanoic acid

C8H15NO4 — CID 43090042

IUPAC4-[ethoxycarbonyl(methyl)amino]butanoic acid
SMILESCCOC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-13-8(12)9(2)6-4-5-7(10)11/h3-6H2,1-2H3,(H,10,11)
InChIKeyDDHVBMNBIVTRMI-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.94
Rot. Bonds5

About 4-[ethoxycarbonyl(methyl)amino]butanoic acid

4-[ethoxycarbonyl(methyl)amino]butanoic acid (PubChem CID 43090042) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-[ethoxycarbonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[ethoxycarbonyl(methyl)amino]butanoic acid
PubChem CID43090042
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-[ethoxycarbonyl(methyl)amino]butanoic acid
SMILESCCOC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H15NO4/c1-3-13-8(12)9(2)6-4-5-7(10)11/h3-6H2,1-2H3,(H,10,11)
InChIKeyDDHVBMNBIVTRMI-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 10656390
4-[(Methoxycarbonyl)(methyl)amino]butanoic acid
CID 18442970
3-[Ethoxycarbonyl(4-hydroxybutyl)amino]propanoic acid
CID 134872544
4-[Methyl(2,2,2-trifluoroethoxycarbonyl)amino]butanoic acid
CID 61170592
Methyl 4-[methyl(2,2,2-trifluoroethoxycarbonyl)amino]butanoate
CID 65173671
4-[Formyl(2,2,2-trifluoroethoxycarbonyl)amino]butanoic acid
CID 101093753
4-[Formyl(methyl)amino]butanoic acid
CID 19820848
4-[Methyl(2-methylpropoxycarbonyl)amino]butanoic acid
CID 43151871
4,4'-((tert-Butoxycarbonyl)azanediyl)dibutyric acid
CID 44474101
4-[Formyl(propyl)amino]butanoic acid
CID 53873287
4-((tert-Butoxycarbonyl)(ethyl)amino)butanoic acid
CID 57606003
4-(Diformylamino)butanoic acid
CID 59869417

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxycarbonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[ethoxycarbonyl(methyl)amino]butanoic acid (CID 43090042) is 4-[ethoxycarbonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[ethoxycarbonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[ethoxycarbonyl(methyl)amino]butanoic acid is CCOC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[ethoxycarbonyl(methyl)amino]butanoic acid?
The InChIKey is DDHVBMNBIVTRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-13-8(12)9(2)6-4-5-7(10)11/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-[ethoxycarbonyl(methyl)amino]butanoic acid?
4-[ethoxycarbonyl(methyl)amino]butanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxycarbonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 43090042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).