(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid

C13H24N2O5 — CID 107838383

IUPAC(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid
SMILESCC(C)CC(C)NC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-8(2)7-9(3)14-13(20)15-10(12(18)19)5-4-6-11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)(H,18,19)(H2,14,15,20)/t9?,10-/m1/s1
InChIKeyGCWCURKBRWJVAF-QVDQXJPCSA-N
MW288.34 g/mol
LogP1.43
Rot. Bonds9

About (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid

(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid (PubChem CID 107838383) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid
PubChem CID107838383
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid
SMILESCC(C)CC(C)NC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-8(2)7-9(3)14-13(20)15-10(12(18)19)5-4-6-11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)(H,18,19)(H2,14,15,20)/t9?,10-/m1/s1
InChIKeyGCWCURKBRWJVAF-QVDQXJPCSA-N
XLogP1.43
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methylpentan-2-ylcarbamoylamino)hexanoic acid
CID 107145488
(2R)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanedioic acid
CID 107840772
5-amino-2-(4-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61199539
2-[[(1S)-1-carboxy-3-methylbutyl]carbamoylamino]pentanedioic acid
CID 88542905
2-(4-methylpentan-2-ylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61198592
(2S)-4-methyl-2-(6-methylheptan-2-ylcarbamoylamino)pentanoic acid
CID 61471236
5-(4-methylhexan-2-ylcarbamoylamino)hexanoic acid
CID 82848355
(2R)-2-(hexan-3-ylcarbamoylamino)hexanedioic acid
CID 107839582
(2S)-2-(propan-2-ylcarbamoylamino)pentanedioic acid
CID 61143700
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 78972526
(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid
CID 107839000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid (CID 107838383) is (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid is CC(C)CC(C)NC(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid?
The InChIKey is GCWCURKBRWJVAF-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-8(2)7-9(3)14-13(20)15-10(12(18)19)5-4-6-11(16)17/h8-10H,4-7H2,1-3H3,(H,16,17)(H,18,19)(H2,14,15,20)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid?
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid has a molecular weight of 288.34 g/mol, XLogP of 1.43, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid is sourced from PubChem (CID 107838383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).