5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

C13H23NO3 — CID 106703695

IUPAC5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCC1(CNC(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-4-13(5-6-13)9-14-10(15)7-12(2,3)8-11(16)17/h4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyXRYFLPDPTUICFB-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds7

About 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 106703695) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID106703695
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCC1(CNC(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-4-13(5-6-13)9-14-10(15)7-12(2,3)8-11(16)17/h4-9H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyXRYFLPDPTUICFB-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic 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

4-(propylcarbamoyl)butanoic Acid
CID 5135850
N-pentylglutaramic acid
CID 3584873
4-(ethylcarbamoyl)butanoic Acid
CID 4326117
Pentanoic acid, 5-(butylamino)-5-oxo-
CID 5253295
5-(4-Aminobutylamino)-5-oxopentanoic acid
CID 12235403
5-[(2-Methylpropyl)amino]-5-oxopentanoic acid
CID 5111934
5-Oxo-3-[2-oxo-2-(propylamino)ethyl]-5-(propylamino)-3-(propylcarbamoyl)pentanoic acid
CID 90992121
5-(Butylamino)-3-[2-(butylamino)-2-oxoethyl]-3-(butylcarbamoyl)-5-oxopentanoic acid
CID 91091883
5-(3-Aminopropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933383
l-gamma-Glutamylneohexylamine
CID 82681723
3,3-Dimethyl-5-oxo-5-(2,2,2-trifluoroethylamino)pentanoic acid
CID 62935228
3,3-Dimethyl-5-oxo-5-(3,3,3-trifluoropropylamino)pentanoic acid
CID 63226042

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 106703695) is 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is CCC1(CNC(=O)CC(C)(C)CC(=O)O)CC1.
What is the InChIKey of 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is XRYFLPDPTUICFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-13(5-6-13)9-14-10(15)7-12(2,3)8-11(16)17/h4-9H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylcyclopropyl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 106703695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).