4-[butoxycarbonyl(methyl)amino]butanoic acid

C10H19NO4 — CID 134521807

IUPAC4-[butoxycarbonyl(methyl)amino]butanoic acid
SMILESCCCCOC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-8-15-10(14)11(2)7-5-6-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyRYHKDKFKQFQJIQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.72
Rot. Bonds7

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

4-[butoxycarbonyl(methyl)amino]butanoic acid (PubChem CID 134521807) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-[butoxycarbonyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[butoxycarbonyl(methyl)amino]butanoic acid
PubChem CID134521807
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-[butoxycarbonyl(methyl)amino]butanoic acid
SMILESCCCCOC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-8-15-10(14)11(2)7-5-6-9(12)13/h3-8H2,1-2H3,(H,12,13)
InChIKeyRYHKDKFKQFQJIQ-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 10656390
4-[(Methoxycarbonyl)(methyl)amino]butanoic acid
CID 18442970
4-((Tert-butoxycarbonyl)(2-oxoethyl)amino)butanoic acid
CID 138963736
3-[Ethoxycarbonyl(4-hydroxybutyl)amino]propanoic acid
CID 134872544
methyl N,N-bis(butoxymethyl)-gamma-aminobutyrate
CID 176507276
4-[Methyl(2,2,2-trifluoroethoxycarbonyl)amino]butanoic acid
CID 61170592
4-[Propan-2-yl(2,2,2-trifluoroethoxycarbonyl)amino]butanoic acid
CID 61171962
4-[Dimethylamino(methoxycarbonyl)amino]butanoic acid
CID 3024681
Methyl 4-(tert-butoxycarbonyl(methyl)amino)butanoate
CID 10681033
4-[Formyl(methyl)amino]butanoic acid
CID 19820848
4-(Butoxycarbonylamino)butanoic acid
CID 20132311
propyl N-(4-hydroxybutyl)-N-methylcarbamate
CID 22973782

Frequently Asked Questions

What is the IUPAC name of 4-[butoxycarbonyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[butoxycarbonyl(methyl)amino]butanoic acid (CID 134521807) is 4-[butoxycarbonyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[butoxycarbonyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[butoxycarbonyl(methyl)amino]butanoic acid is CCCCOC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[butoxycarbonyl(methyl)amino]butanoic acid?
The InChIKey is RYHKDKFKQFQJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-4-8-15-10(14)11(2)7-5-6-9(12)13/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-[butoxycarbonyl(methyl)amino]butanoic acid?
4-[butoxycarbonyl(methyl)amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butoxycarbonyl(methyl)amino]butanoic acid is sourced from PubChem (CID 134521807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).