(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid

C10H18N2O7 — CID 113467934

IUPAC(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
SMILESCOCCN(CCO)C(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O7/c1-19-5-3-12(2-4-13)10(18)11-7(9(16)17)6-8(14)15/h7,13H,2-6H2,1H3,(H,11,18)(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyMTQWUZITPDZGGI-SSDOTTSWSA-N
MW278.26 g/mol
LogP-1.44
Rot. Bonds9

About (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid

(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid (PubChem CID 113467934) has the molecular formula C10H18N2O7 and a molecular weight of 278.26 g/mol. Its IUPAC name is (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
PubChem CID113467934
Molecular FormulaC10H18N2O7
Molecular Weight278.26 g/mol
Exact Mass278.11
IUPAC Name(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
SMILESCOCCN(CCO)C(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O7/c1-19-5-3-12(2-4-13)10(18)11-7(9(16)17)6-8(14)15/h7,13H,2-6H2,1H3,(H,11,18)(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyMTQWUZITPDZGGI-SSDOTTSWSA-N
XLogP-1.44
TPSA136.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid
CID 103339673
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305116
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]butanedioic acid
CID 107481827
2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233586

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid?
The IUPAC name of (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid (CID 113467934) is (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid.
What is the SMILES notation for (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid?
The canonical SMILES for (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid is COCCN(CCO)C(=O)N[C@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid?
The InChIKey is MTQWUZITPDZGGI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O7/c1-19-5-3-12(2-4-13)10(18)11-7(9(16)17)6-8(14)15/h7,13H,2-6H2,1H3,(H,11,18)(H,14,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid?
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid has a molecular weight of 278.26 g/mol, XLogP of -1.44, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid is sourced from PubChem (CID 113467934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).