(2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid

C13H24N2O5 — CID 107838523

IUPAC(2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid
SMILESCC(C)C(C)N(C)C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-8(2)9(3)15(4)13(20)14-10(12(18)19)6-5-7-11(16)17/h8-10H,5-7H2,1-4H3,(H,14,20)(H,16,17)(H,18,19)/t9?,10-/m1/s1
InChIKeyDZATZZGMJIJOHT-QVDQXJPCSA-N
MW288.34 g/mol
LogP1.38
Rot. Bonds8

About (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid

(2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid (PubChem CID 107838523) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid
PubChem CID107838523
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name(2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid
SMILESCC(C)C(C)N(C)C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-8(2)9(3)15(4)13(20)14-10(12(18)19)6-5-7-11(16)17/h8-10H,5-7H2,1-4H3,(H,14,20)(H,16,17)(H,18,19)/t9?,10-/m1/s1
InChIKeyDZATZZGMJIJOHT-QVDQXJPCSA-N
XLogP1.38
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanedioic acid
CID 107841529
(2S)-2-[[butan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61194747
(2R)-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]hexanedioic acid
CID 107840451
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 104553076
2-[[methyl(2-methylpropyl)carbamoyl]amino]pentanedioic acid
CID 61196782
(2R)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanedioic acid
CID 107840772
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 55009895
(2S)-2-[[methyl(3-methylbutyl)carbamoyl]amino]pentanedioic acid
CID 61429121
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 104553020
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid
CID 107831537
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid (CID 107838523) is (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid is CC(C)C(C)N(C)C(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid?
The InChIKey is DZATZZGMJIJOHT-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-8(2)9(3)15(4)13(20)14-10(12(18)19)6-5-7-11(16)17/h8-10H,5-7H2,1-4H3,(H,14,20)(H,16,17)(H,18,19)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid?
(2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid has a molecular weight of 288.34 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]hexanedioic acid is sourced from PubChem (CID 107838523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).