(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid

C12H22N2O5 — CID 107835525

IUPAC(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid
SMILESCC(C)(C)NCC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-12(2,3)13-7-9(15)14-8(11(18)19)5-4-6-10(16)17/h8,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)(H,18,19)/t8-/m1/s1
InChIKeyYIJSKTVWUKPLIY-MRVPVSSYSA-N
MW274.32 g/mol
LogP0.20
Rot. Bonds8

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

(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid (PubChem CID 107835525) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid
PubChem CID107835525
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid
SMILESCC(C)(C)NCC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-12(2,3)13-7-9(15)14-8(11(18)19)5-4-6-10(16)17/h8,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)(H,18,19)/t8-/m1/s1
InChIKeyYIJSKTVWUKPLIY-MRVPVSSYSA-N
XLogP0.20
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(tert-butylamino)propanoylamino]hexanedioic acid
CID 107835658
(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
CID 80751495
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]hexanedioic acid
CID 147834087
(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid
CID 114006779
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid
CID 107835553
20-[[(1S)-1-carboxy-5-[[(1S)-1-carboxy-4-oxopentyl]amino]-5-oxopentyl]amino]-20-oxoicosanoic acid
CID 129288276
(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid
CID 107831537
2-[(3-hydroxy-3-methylbutanoyl)amino]pentanedioic acid
CID 90258530
(2R)-2-(3-cyclohexylpropanoylamino)hexanedioic acid
CID 107831353
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid (CID 107835525) is (2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid is CC(C)(C)NCC(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid?
The InChIKey is YIJSKTVWUKPLIY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(2,3)13-7-9(15)14-8(11(18)19)5-4-6-10(16)17/h8,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid?
(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid has a molecular weight of 274.32 g/mol, XLogP of 0.20, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid is sourced from PubChem (CID 107835525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).