2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid

C11H22N2O6 — CID 61418747

IUPAC2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCOCCN(CCOC)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H22N2O6/c1-8(14)9(10(15)16)12-11(17)13(4-6-18-2)5-7-19-3/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyVSALHCUAGCLCOO-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.88
Rot. Bonds9

About 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid

2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 61418747) has the molecular formula C11H22N2O6 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid
PubChem CID61418747
Molecular FormulaC11H22N2O6
Molecular Weight278.31 g/mol
Exact Mass278.15
IUPAC Name2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCOCCN(CCOC)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H22N2O6/c1-8(14)9(10(15)16)12-11(17)13(4-6-18-2)5-7-19-3/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyVSALHCUAGCLCOO-UHFFFAOYSA-N
XLogP-0.88
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63286518
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 62921939
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
(2S,3R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 107481650
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid (CID 61418747) is 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid is COCCN(CCOC)C(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is VSALHCUAGCLCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6/c1-8(14)9(10(15)16)12-11(17)13(4-6-18-2)5-7-19-3/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid?
2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 278.31 g/mol, XLogP of -0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 61418747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).