2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid

C11H21N3O5 — CID 82950117

IUPAC2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid
SMILESCC(CN(C)C)NC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(6-14(2)3)12-11(19)13-8(10(17)18)4-5-9(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H,17,18)(H2,12,13,19)
InChIKeyOIIWHGFSPKZVLC-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.45
Rot. Bonds8

About 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid

2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid (PubChem CID 82950117) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid
PubChem CID82950117
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid
SMILESCC(CN(C)C)NC(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-7(6-14(2)3)12-11(19)13-8(10(17)18)4-5-9(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H,17,18)(H2,12,13,19)
InChIKeyOIIWHGFSPKZVLC-UHFFFAOYSA-N
XLogP-0.45
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanedioic acid
CID 107840772
(2S)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828696
(2S)-2-(propan-2-ylcarbamoylamino)pentanedioic acid
CID 61143700
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
(2S)-2-[[(1R)-1-carboxy-2-(111C)methylsulfanylethyl]carbamoylamino]pentanedioic acid
CID 59768729
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 82937494
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82939192
2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
CID 61196782
(2S)-2-(2-methylpentan-3-ylcarbamoylamino)pentanedioic acid
CID 61471190
2-[[(1S)-1-carboxy-3-methylsulfanylpropyl]carbamoylamino]pentanedioic acid
CID 88542904
(2S)-2-[[methyl(3-methylbutyl)carbamoyl]amino]pentanedioic acid
CID 61429121
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid
CID 107838383

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid (CID 82950117) is 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid is CC(CN(C)C)NC(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid?
The InChIKey is OIIWHGFSPKZVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-7(6-14(2)3)12-11(19)13-8(10(17)18)4-5-9(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H,17,18)(H2,12,13,19).
What are the key properties of 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid?
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid has a molecular weight of 275.31 g/mol, XLogP of -0.45, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid is sourced from PubChem (CID 82950117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).