2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid

C9H14N2O7 — CID 61181286

IUPAC2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid
SMILESCOC(=O)CNC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C9H14N2O7/c1-18-7(14)4-10-9(17)11-5(8(15)16)2-3-6(12)13/h5H,2-4H2,1H3,(H,12,13)(H,15,16)(H2,10,11,17)
InChIKeyFYHSJZZYSJNJEJ-UHFFFAOYSA-N
MW262.22 g/mol
LogP-1.22
Rot. Bonds7

About 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid

2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid (PubChem CID 61181286) has the molecular formula C9H14N2O7 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid
PubChem CID61181286
Molecular FormulaC9H14N2O7
Molecular Weight262.22 g/mol
Exact Mass262.08
IUPAC Name2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid
SMILESCOC(=O)CNC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C9H14N2O7/c1-18-7(14)4-10-9(17)11-5(8(15)16)2-3-6(12)13/h5H,2-4H2,1H3,(H,12,13)(H,15,16)(H2,10,11,17)
InChIKeyFYHSJZZYSJNJEJ-UHFFFAOYSA-N
XLogP-1.22
TPSA142.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183537
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 61183372
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2S)-2-(methoxycarbonylamino)pentanedioic acid;(2S)-2-(methylcarbamoylamino)pentanedioic acid
CID 161104290
(2S)-2-[(1-methoxy-2-methylpropan-2-yl)carbamoylamino]pentanedioic acid
CID 104862179
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
3-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 61182850
(2S)-2-(propan-2-ylcarbamoylamino)pentanedioic acid
CID 61143700
(2S)-2-[[(1R)-1-carboxy-2-(111C)methylsulfanylethyl]carbamoylamino]pentanedioic acid
CID 59768729
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid (CID 61181286) is 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid is COC(=O)CNC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid?
The InChIKey is FYHSJZZYSJNJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O7/c1-18-7(14)4-10-9(17)11-5(8(15)16)2-3-6(12)13/h5H,2-4H2,1H3,(H,12,13)(H,15,16)(H2,10,11,17).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid?
2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid has a molecular weight of 262.22 g/mol, XLogP of -1.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid is sourced from PubChem (CID 61181286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).