(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid

C13H22N2O6 — CID 107841430

IUPAC(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)N(CCO)C1CCC1)C(=O)O
InChIInChI=1S/C13H22N2O6/c16-8-7-15(9-3-1-4-9)13(21)14-10(12(19)20)5-2-6-11(17)18/h9-10,16H,1-8H2,(H,14,21)(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyQHZHAXWMMKRMMU-SNVBAGLBSA-N
MW302.33 g/mol
LogP0.25
Rot. Bonds9

About (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid

(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid (PubChem CID 107841430) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
PubChem CID107841430
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)N(CCO)C1CCC1)C(=O)O
InChIInChI=1S/C13H22N2O6/c16-8-7-15(9-3-1-4-9)13(21)14-10(12(19)20)5-2-6-11(17)18/h9-10,16H,1-8H2,(H,14,21)(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyQHZHAXWMMKRMMU-SNVBAGLBSA-N
XLogP0.25
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]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

(2R)-2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107839207
(2S)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829419
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545
(2R)-2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]pentanoic acid
CID 107567792
(2S)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 102865708
(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827056
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid
CID 102865173
(2R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107841576
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826087
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
2-[[cyclopropyl(propyl)carbamoyl]amino]hexanoic acid
CID 61196404

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid (CID 107841430) is (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)N(CCO)C1CCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid?
The InChIKey is QHZHAXWMMKRMMU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O6/c16-8-7-15(9-3-1-4-9)13(21)14-10(12(19)20)5-2-6-11(17)18/h9-10,16H,1-8H2,(H,14,21)(H,17,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid?
(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid has a molecular weight of 302.33 g/mol, XLogP of 0.25, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid is sourced from PubChem (CID 107841430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).