ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate

C12H21NO4 — CID 79199605

IUPACethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CCCCO)C1CC1
InChIInChI=1S/C12H21NO4/c1-2-17-12(16)9-13(10-6-7-10)11(15)5-3-4-8-14/h10,14H,2-9H2,1H3
InChIKeyULEVQUSHGCGOCT-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.70
Rot. Bonds8

About ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate

ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate (PubChem CID 79199605) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate
PubChem CID79199605
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CCCCO)C1CC1
InChIInChI=1S/C12H21NO4/c1-2-17-12(16)9-13(10-6-7-10)11(15)5-3-4-8-14/h10,14H,2-9H2,1H3
InChIKeyULEVQUSHGCGOCT-UHFFFAOYSA-N
XLogP0.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate (CID 79199605) is ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate is CCOC(=O)CN(C(=O)CCCCO)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate?
The InChIKey is ULEVQUSHGCGOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-17-12(16)9-13(10-6-7-10)11(15)5-3-4-8-14/h10,14H,2-9H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate?
ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate has a molecular weight of 243.30 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(5-hydroxypentanoyl)amino]acetate is sourced from PubChem (CID 79199605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).