5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid

C13H24N2O3 — CID 113496888

IUPAC5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid
SMILESCC1CC1NC(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-8-5-10(8)15-12(18)14-9(6-11(16)17)7-13(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyHADYZJWNXCVIID-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.97
Rot. Bonds5

About 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid

5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid (PubChem CID 113496888) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid
PubChem CID113496888
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid
SMILESCC1CC1NC(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-8-5-10(8)15-12(18)14-9(6-11(16)17)7-13(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyHADYZJWNXCVIID-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic 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

3-Acetamido-5,5-dimethylhexanoic acid
CID 10442807
(3S)-3-(carbamoylamino)-5-methylhexanoic acid
CID 135070785
3-Cyclopropyl-3-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 81995303
3-Cyclopropyl-3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 81995882
3-Cyclopropyl-3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
CID 82002330
3-Cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 82002414
3-Cyclopropyl-3-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 82002685
3-Cyclopropyl-3-(2,2-difluoroethylcarbamoylamino)propanoic acid
CID 82002706
3-Cyclopropyl-3-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 82002784
3-Cyclopropyl-3-(4,4,4-trifluorobutylcarbamoylamino)propanoic acid
CID 82002802
3-Cyclopropyl-3-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 82002900
3-Cyclopropyl-3-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propanoic acid
CID 82003280

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid?
The IUPAC name of 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid (CID 113496888) is 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid is CC1CC1NC(=O)NC(CC(=O)O)CC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid?
The InChIKey is HADYZJWNXCVIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8-5-10(8)15-12(18)14-9(6-11(16)17)7-13(2,3)4/h8-10H,5-7H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid?
5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 113496888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).