[(2S)-2-(ethoxycarbonylamino)propyl] acetate

C8H15NO4 — CID 131844256

IUPAC[(2S)-2-(ethoxycarbonylamino)propyl] acetate
SMILESCCOC(=O)N[C@@H](C)COC(C)=O
InChIInChI=1S/C8H15NO4/c1-4-12-8(11)9-6(2)5-13-7(3)10/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyLTVUHGLHRFJSHL-LURJTMIESA-N
MW189.21 g/mol
LogP0.68
Rot. Bonds4

About [(2S)-2-(ethoxycarbonylamino)propyl] acetate

[(2S)-2-(ethoxycarbonylamino)propyl] acetate (PubChem CID 131844256) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [(2S)-2-(ethoxycarbonylamino)propyl] acetate.

Molecular Properties

Compound Name[(2S)-2-(ethoxycarbonylamino)propyl] acetate
PubChem CID131844256
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[(2S)-2-(ethoxycarbonylamino)propyl] acetate
SMILESCCOC(=O)N[C@@H](C)COC(C)=O
InChIInChI=1S/C8H15NO4/c1-4-12-8(11)9-6(2)5-13-7(3)10/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m0/s1
InChIKeyLTVUHGLHRFJSHL-LURJTMIESA-N
XLogP0.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(ethoxycarbonylamino)propyl] acetate 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

Ethyl 2-(ethoxycarbonylamino)acetate
CID 226277
D-Alanine, N-propargyloxycarbonyl-, propargyl ester
CID 91712725
l-Alanine, N-ethoxycarbonyl-, ethyl ester
CID 6422303
[(2S)-2-acetamidobutyl] acetate
CID 14115607
Butoxycarbonylmethylurethane
CID 18961430
2-[(Ethoxycarbonyl)amino]butyl acetate
CID 23163441
[(2S)-2-(ethoxycarbonylamino)butyl] acetate
CID 57021214
(2-Acetamido-3-acetyloxypropyl) acetate
CID 134852870
2-(Fluoromethoxycarbonylamino)ethyl propanoate
CID 57957191
Ethyl 2-(2,2,2-trifluoroethoxycarbonylamino)propanoate
CID 58928742
Ethyl (tert-butoxycarbonyl)alaninate
CID 357713
l-Alanine, N-ethoxycarbonyl-, pentyl ester
CID 6422307

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(ethoxycarbonylamino)propyl] acetate?
The IUPAC name of [(2S)-2-(ethoxycarbonylamino)propyl] acetate (CID 131844256) is [(2S)-2-(ethoxycarbonylamino)propyl] acetate.
What is the SMILES notation for [(2S)-2-(ethoxycarbonylamino)propyl] acetate?
The canonical SMILES for [(2S)-2-(ethoxycarbonylamino)propyl] acetate is CCOC(=O)N[C@@H](C)COC(C)=O.
What is the InChIKey of [(2S)-2-(ethoxycarbonylamino)propyl] acetate?
The InChIKey is LTVUHGLHRFJSHL-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-12-8(11)9-6(2)5-13-7(3)10/h6H,4-5H2,1-3H3,(H,9,11)/t6-/m0/s1.
What are the key properties of [(2S)-2-(ethoxycarbonylamino)propyl] acetate?
[(2S)-2-(ethoxycarbonylamino)propyl] acetate has a molecular weight of 189.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(ethoxycarbonylamino)propyl] acetate is sourced from PubChem (CID 131844256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).