(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid

C14H22N2O5 — CID 107839000

IUPAC(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)NC(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C14H22N2O5/c17-11(18)3-1-2-10(13(19)20)15-14(21)16-12(8-4-5-8)9-6-7-9/h8-10,12H,1-7H2,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1
InChIKeyGUGSHYRNOYFCMF-SNVBAGLBSA-N
MW298.34 g/mol
LogP1.18
Rot. Bonds9

About (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid

(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid (PubChem CID 107839000) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid
PubChem CID107839000
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)NC(C1CC1)C1CC1)C(=O)O
InChIInChI=1S/C14H22N2O5/c17-11(18)3-1-2-10(13(19)20)15-14(21)16-12(8-4-5-8)9-6-7-9/h8-10,12H,1-7H2,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1
InChIKeyGUGSHYRNOYFCMF-SNVBAGLBSA-N
XLogP1.18
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
CID 61480513
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
(2R)-2-(2-cyclopropylethylcarbamoylamino)hexanedioic acid
CID 107840303
(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]hexanedioic acid
CID 107838733
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)hexanedioic acid
CID 107838383
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
(2S)-2-(1-cyclohexylethylcarbamoylamino)pentanedioic acid
CID 62406533
(2R)-2-(hexan-3-ylcarbamoylamino)hexanedioic acid
CID 107839582
(2R)-2-(thiolane-2-carbonylamino)hexanedioic acid
CID 107831322
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid (CID 107839000) is (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)NC(C1CC1)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid?
The InChIKey is GUGSHYRNOYFCMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N2O5/c17-11(18)3-1-2-10(13(19)20)15-14(21)16-12(8-4-5-8)9-6-7-9/h8-10,12H,1-7H2,(H,17,18)(H,19,20)(H2,15,16,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid?
(2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid has a molecular weight of 298.34 g/mol, XLogP of 1.18, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dicyclopropylmethylcarbamoylamino)hexanedioic acid is sourced from PubChem (CID 107839000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).