2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid

C10H20N2O5 — CID 62478307

IUPAC2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
SMILESCCOCCNC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-3-17-7-5-11-10(15)12-8(9(13)14)4-6-16-2/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyFHPGSORPZUVVJT-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.19
Rot. Bonds9

About 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid

2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid (PubChem CID 62478307) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
PubChem CID62478307
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid
SMILESCCOCCNC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-3-17-7-5-11-10(15)12-8(9(13)14)4-6-16-2/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyFHPGSORPZUVVJT-UHFFFAOYSA-N
XLogP-0.19
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-ethoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114005434
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
CID 62473070
(2S)-4-amino-2-(2-ethoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 63716980
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
CID 62589911
(2S)-2-(3-methoxypropylcarbamoylamino)pentanoic acid
CID 107566134
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
(2R)-5-amino-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107830441
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
CID 62480257
4-methoxy-2-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004415
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 81085400

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid?
The IUPAC name of 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid (CID 62478307) is 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid.
What is the SMILES notation for 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid?
The canonical SMILES for 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid is CCOCCNC(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid?
The InChIKey is FHPGSORPZUVVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-3-17-7-5-11-10(15)12-8(9(13)14)4-6-16-2/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid?
2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylcarbamoylamino)-4-methoxybutanoic acid is sourced from PubChem (CID 62478307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).