(2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate

C16H20NO5- — CID 6957061

IUPAC(2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate
SMILESCCOC(=O)c1ccc(NC(=O)CC[C@@H](CC)C(=O)[O-])cc1
InChIInChI=1S/C16H21NO5/c1-3-11(15(19)20)7-10-14(18)17-13-8-5-12(6-9-13)16(21)22-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,18)(H,19,20)/p-1/t11-/m1/s1
InChIKeyXTZMIYZBHFHFDT-LLVKDONJSA-M
MW306.34 g/mol
LogP1.36
Rot. Bonds8

About (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate

(2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate (PubChem CID 6957061) has the molecular formula C16H20NO5- and a molecular weight of 306.34 g/mol. Its IUPAC name is (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate.

Molecular Properties

Compound Name(2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate
PubChem CID6957061
Molecular FormulaC16H20NO5-
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC Name(2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate
SMILESCCOC(=O)c1ccc(NC(=O)CC[C@@H](CC)C(=O)[O-])cc1
InChIInChI=1S/C16H21NO5/c1-3-11(15(19)20)7-10-14(18)17-13-8-5-12(6-9-13)16(21)22-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,18)(H,19,20)/p-1/t11-/m1/s1
InChIKeyXTZMIYZBHFHFDT-LLVKDONJSA-M
XLogP1.36
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate 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-(4-carboxylatohexanoylamino)benzoate
CID 3275763
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
(2R)-5-(4-ethoxycarbonylanilino)-2-methyl-5-oxopentanoic acid
CID 845245
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
ethyl 4-(5-hydroxypentanoylamino)benzoate
CID 79199550
(2R)-5-(4-methoxycarbonylanilino)-2-methyl-5-oxopentanoate
CID 6949424
ethyl 4-[[3-oxo-3-(4-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954393
ethyl 4-(hexadecanoylamino)benzoate
CID 15925750
ethyl 4-(icosanoylamino)benzoate
CID 4522300
ethyl 4-[3-[[(2S)-2-bromobutanoyl]amino]propanoylamino]benzoate
CID 40803216
ethyl 4-(3-methylsulfonylpropanoylamino)benzoate
CID 43423779
ethyl 4-[3-(propylamino)propanoylamino]benzoate
CID 109011620

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate?
The IUPAC name of (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate (CID 6957061) is (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate.
What is the SMILES notation for (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate?
The canonical SMILES for (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate is CCOC(=O)c1ccc(NC(=O)CC[C@@H](CC)C(=O)[O-])cc1.
What is the InChIKey of (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate?
The InChIKey is XTZMIYZBHFHFDT-LLVKDONJSA-M. The full InChI is InChI=1S/C16H21NO5/c1-3-11(15(19)20)7-10-14(18)17-13-8-5-12(6-9-13)16(21)22-4-2/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,18)(H,19,20)/p-1/t11-/m1/s1.
What are the key properties of (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate?
(2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate has a molecular weight of 306.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(4-ethoxycarbonylanilino)-2-ethyl-5-oxopentanoate is sourced from PubChem (CID 6957061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).