2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid

C11H18N2O6 — CID 103339673

IUPAC2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid
SMILESC=CCN(CCOC)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-3-4-13(5-6-19-2)11(18)12-8(10(16)17)7-9(14)15/h3,8H,1,4-7H2,2H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyBNSONQQMAPIPGK-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.24
Rot. Bonds9

About 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid

2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid (PubChem CID 103339673) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid
PubChem CID103339673
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid
SMILESC=CCN(CCOC)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-3-4-13(5-6-19-2)11(18)12-8(10(16)17)7-9(14)15/h3,8H,1,4-7H2,2H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyBNSONQQMAPIPGK-UHFFFAOYSA-N
XLogP-0.24
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
3-ethyl-1-(2-methoxyethyl)-1-prop-2-enylurea
CID 103338592
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
4-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
CID 103339539
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid
CID 107828628
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 103339786
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid?
The IUPAC name of 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid (CID 103339673) is 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid?
The canonical SMILES for 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid is C=CCN(CCOC)C(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid?
The InChIKey is BNSONQQMAPIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-3-4-13(5-6-19-2)11(18)12-8(10(16)17)7-9(14)15/h3,8H,1,4-7H2,2H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid?
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid has a molecular weight of 274.27 g/mol, XLogP of -0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid is sourced from PubChem (CID 103339673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).