(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid

C11H20N2O5 — CID 107835553

IUPAC(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid
SMILESCC(C)(CN)C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,6-12)10(18)13-7(9(16)17)4-3-5-8(14)15/h7H,3-6,12H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyVNGUEPNFIRQDDF-SSDOTTSWSA-N
MW260.29 g/mol
LogP-0.20
Rot. Bonds8

About (2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid

(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid (PubChem CID 107835553) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid
PubChem CID107835553
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid
SMILESCC(C)(CN)C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,6-12)10(18)13-7(9(16)17)4-3-5-8(14)15/h7H,3-6,12H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyVNGUEPNFIRQDDF-SSDOTTSWSA-N
XLogP-0.20
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid
CID 107146867
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 113307659
(2R)-2-[[2-(tert-butylamino)acetyl]amino]hexanedioic acid
CID 107835525
(2R)-2-[3-(tert-butylamino)propanoylamino]hexanedioic acid
CID 107835658
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
8-[(4-amino-1-carboxybutyl)amino]-8-oxooctanoic acid
CID 118550134
8-[[(1S)-4-amino-1-carboxybutyl]amino]-8-oxooctanoic acid
CID 118550149
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid
CID 12879022
5-[[2-(aminomethyl)-2-methylbutanoyl]amino]hexanoic acid
CID 82847755
(2R)-2-[[2-[acetyl(methyl)amino]acetyl]amino]hexanedioic acid
CID 107831537

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid (CID 107835553) is (2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid is CC(C)(CN)C(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid?
The InChIKey is VNGUEPNFIRQDDF-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,6-12)10(18)13-7(9(16)17)4-3-5-8(14)15/h7H,3-6,12H2,1-2H3,(H,13,18)(H,14,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid?
(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid has a molecular weight of 260.29 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-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid is sourced from PubChem (CID 107835553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).