2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid

C14H28N2O4 — CID 63066342

IUPAC2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CCOCCNC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)5-7-20-8-6-15-14(19)16(9-12(3)4)10-13(17)18/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyJQMWVPNEKRWERR-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.80
Rot. Bonds10

About 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid

2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63066342) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID63066342
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CCOCCNC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)5-7-20-8-6-15-14(19)16(9-12(3)4)10-13(17)18/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyJQMWVPNEKRWERR-UHFFFAOYSA-N
XLogP1.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-[2-(3-methylbutoxy)ethylcarbamoyl]amino]butanoic acid
CID 62828246
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 113327921
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-[2-methylpropyl-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]amino]acetic acid
CID 113363333
2-[cyclopropylmethyl-[2-(2-methylpropoxy)ethylcarbamoyl]amino]acetic acid
CID 103996414
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 103463265
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
CID 61484389

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid (CID 63066342) is 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid is CC(C)CCOCCNC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is JQMWVPNEKRWERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(2)5-7-20-8-6-15-14(19)16(9-12(3)4)10-13(17)18/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 288.39 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).