2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid

C11H21N3O4 — CID 61199942

IUPAC2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(C)CC(=O)NC)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-5-6-8(10(16)17)13-11(18)14(3)7-9(15)12-2/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyAYHBCEUKJPHCRI-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.02
Rot. Bonds7

About 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid

2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid (PubChem CID 61199942) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid
PubChem CID61199942
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(C)CC(=O)NC)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-5-6-8(10(16)17)13-11(18)14(3)7-9(15)12-2/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyAYHBCEUKJPHCRI-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 61452543
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
CID 107145575
(2R)-2-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanedioic acid
CID 107841529
2-[[methyl(2-methylbutyl)carbamoyl]amino]hexanoic acid
CID 61198544
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 104553020
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
(2R)-2-[[butyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005321
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
(2R)-2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104910027

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid?
The IUPAC name of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid (CID 61199942) is 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid?
The canonical SMILES for 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid is CCCCC(NC(=O)N(C)CC(=O)NC)C(=O)O.
What is the InChIKey of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid?
The InChIKey is AYHBCEUKJPHCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-5-6-8(10(16)17)13-11(18)14(3)7-9(15)12-2/h8H,4-7H2,1-3H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid?
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid has a molecular weight of 259.31 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 61199942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).