2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid

C11H18N2O7 — CID 61499191

IUPAC2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid
SMILESCCOC(=O)C(C)NC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O7/c1-3-20-10(18)6(2)12-11(19)13-7(9(16)17)4-5-8(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)(H,16,17)(H2,12,13,19)
InChIKeyMNHUCODSAPXPJU-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.44
Rot. Bonds8

About 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid

2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid (PubChem CID 61499191) has the molecular formula C11H18N2O7 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid
PubChem CID61499191
Molecular FormulaC11H18N2O7
Molecular Weight290.27 g/mol
Exact Mass290.11
IUPAC Name2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid
SMILESCCOC(=O)C(C)NC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O7/c1-3-20-10(18)6(2)12-11(19)13-7(9(16)17)4-5-8(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)(H,16,17)(H2,12,13,19)
InChIKeyMNHUCODSAPXPJU-UHFFFAOYSA-N
XLogP-0.44
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
CID 82848167
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
(2S)-2-(propan-2-ylcarbamoylamino)pentanedioic acid
CID 61143700
(2S)-2-[[(2S)-1-butoxy-4-carboxy-1-oxobutan-2-yl]carbamoylamino]pentanedioic acid
CID 126702215
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 61499075
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
(2S)-2-[[(1R)-1-carboxy-2-(111C)methylsulfanylethyl]carbamoylamino]pentanedioic acid
CID 59768729
2-(hexan-3-ylcarbamoylamino)pentanedioic acid
CID 62119711
(2S)-2-(1-carboxypentan-2-ylcarbamoylamino)pentanedioic acid
CID 134458676
(2S)-2-(2-methylpentan-3-ylcarbamoylamino)pentanedioic acid
CID 61471190
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]pentanedioic acid
CID 7009625
(2S)-2-[[(2S)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamoylamino]pentanedioic acid
CID 122617160

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid?
The IUPAC name of 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid (CID 61499191) is 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid.
What is the SMILES notation for 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid?
The canonical SMILES for 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid is CCOC(=O)C(C)NC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid?
The InChIKey is MNHUCODSAPXPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O7/c1-3-20-10(18)6(2)12-11(19)13-7(9(16)17)4-5-8(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)(H,16,17)(H2,12,13,19).
What are the key properties of 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid?
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid has a molecular weight of 290.27 g/mol, XLogP of -0.44, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid is sourced from PubChem (CID 61499191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).