(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid

C11H18N2O6 — CID 107831537

IUPAC(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid
SMILESCC(=O)N(C)CC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-7(14)13(2)6-9(15)12-8(11(18)19)4-3-5-10(16)17/h8H,3-6H2,1-2H3,(H,12,15)(H,16,17)(H,18,19)/t8-/m1/s1
InChIKeyOQTAOPBODSHARE-MRVPVSSYSA-N
MW274.27 g/mol
LogP-0.71
Rot. Bonds8

About (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid

(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid (PubChem CID 107831537) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid
PubChem CID107831537
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid
SMILESCC(=O)N(C)CC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-7(14)13(2)6-9(15)12-8(11(18)19)4-3-5-10(16)17/h8H,3-6H2,1-2H3,(H,12,15)(H,16,17)(H,18,19)/t8-/m1/s1
InChIKeyOQTAOPBODSHARE-MRVPVSSYSA-N
XLogP-0.71
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61152892
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 61155503
20-[[(1S)-1-carboxy-5-[[(1S)-1-carboxy-4-oxopentyl]amino]-5-oxopentyl]amino]-20-oxoicosanoic acid
CID 129288276
(2R)-2-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanedioic acid
CID 107841529
4-[[2-[acetyl(methyl)amino]acetyl]amino]butanoic acid
CID 43355054
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
5-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylpentanoic acid
CID 104681859
(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid
CID 114006779
(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid
CID 107835525
(2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid
CID 107838523
2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]hexanedioic acid
CID 147834087

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid (CID 107831537) is (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid is CC(=O)N(C)CC(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid?
The InChIKey is OQTAOPBODSHARE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-7(14)13(2)6-9(15)12-8(11(18)19)4-3-5-10(16)17/h8H,3-6H2,1-2H3,(H,12,15)(H,16,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid?
(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid has a molecular weight of 274.27 g/mol, XLogP of -0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid is sourced from PubChem (CID 107831537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).