2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid

C11H22N2O4 — CID 65223178

IUPAC2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCOCC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-5-9(10(14)15)8-13-11(16)12-6-7-17-4-2/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyJXFZNKMAVDJAJE-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.82
Rot. Bonds9

About 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid

2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65223178) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
PubChem CID65223178
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCCOCC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-3-5-9(10(14)15)8-13-11(16)12-6-7-17-4-2/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyJXFZNKMAVDJAJE-UHFFFAOYSA-N
XLogP0.82
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
CID 65226423
2-[[2-(3-methylbutoxy)ethylcarbamoylamino]methyl]butanoic acid
CID 65222324
2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
CID 65221921
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
1-butyl-3-(2-ethoxyethyl)urea
CID 115583017
2-[(hex-5-ynylcarbamoylamino)methyl]pentanoic acid
CID 114159413
1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
CID 111337128
2-[(hexan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65222200
2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
CID 65221683
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
CID 107568294
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 62478307

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid (CID 65223178) is 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NCCOCC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is JXFZNKMAVDJAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-5-9(10(14)15)8-13-11(16)12-6-7-17-4-2/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid?
2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.82, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65223178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).