2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid

C9H16N2O6 — CID 61204346

IUPAC2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCOC(=O)CNC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C9H16N2O6/c1-3-17-6(13)4-10-9(16)11-7(5(2)12)8(14)15/h5,7,12H,3-4H2,1-2H3,(H,14,15)(H2,10,11,16)
InChIKeyMBOVXAPKGXMKRO-UHFFFAOYSA-N
MW248.23 g/mol
LogP-1.32
Rot. Bonds6

About 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid

2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 61204346) has the molecular formula C9H16N2O6 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
PubChem CID61204346
Molecular FormulaC9H16N2O6
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCOC(=O)CNC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C9H16N2O6/c1-3-17-6(13)4-10-9(16)11-7(5(2)12)8(14)15/h5,7,12H,3-4H2,1-2H3,(H,14,15)(H2,10,11,16)
InChIKeyMBOVXAPKGXMKRO-UHFFFAOYSA-N
XLogP-1.32
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid
CID 64575086
ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
CID 106346911
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 113353179
(2S)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]pentanoic acid
CID 107566284
ethyl 2-(2-methylpentan-3-ylcarbamoylamino)acetate
CID 61471057
2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61403091
ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
CID 11806511
3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408614
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
(2S,3R)-3-hydroxy-2-(pentylcarbamoylamino)butanoic acid
CID 104965712
2-(2-acetamidoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61202444
(2S,3R)-2-(2,2-difluoroethylcarbamoylamino)-3-hydroxybutanoic acid
CID 104966469

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid (CID 61204346) is 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid is CCOC(=O)CNC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is MBOVXAPKGXMKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6/c1-3-17-6(13)4-10-9(16)11-7(5(2)12)8(14)15/h5,7,12H,3-4H2,1-2H3,(H,14,15)(H2,10,11,16).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid?
2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 248.23 g/mol, XLogP of -1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 61204346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).