ethyl 3-carbamoyloxybutanoate

C7H13NO4 — CID 88785770

IUPACethyl 3-carbamoyloxybutanoate
SMILESCCOC(=O)CC(C)OC(N)=O
InChIInChI=1S/C7H13NO4/c1-3-11-6(9)4-5(2)12-7(8)10/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyZKORDAIYAZDRST-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.42
Rot. Bonds4

About ethyl 3-carbamoyloxybutanoate

ethyl 3-carbamoyloxybutanoate (PubChem CID 88785770) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is ethyl 3-carbamoyloxybutanoate.

Molecular Properties

Compound Nameethyl 3-carbamoyloxybutanoate
PubChem CID88785770
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameethyl 3-carbamoyloxybutanoate
SMILESCCOC(=O)CC(C)OC(N)=O
InChIInChI=1S/C7H13NO4/c1-3-11-6(9)4-5(2)12-7(8)10/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyZKORDAIYAZDRST-UHFFFAOYSA-N
XLogP0.42
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-carbamoyloxybutanoate 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

bis(4-ethoxy-4-oxobutan-2-yl) (E)-but-2-enedioate
CID 162441217
4-(4-ethoxy-4-oxobutan-2-yl)oxy-2-hydroxy-4-oxobutanoic acid
CID 162441222
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
(E)-4-(4-ethoxy-4-oxobutan-2-yl)oxy-4-oxobut-2-enoic acid
CID 150493944
ethyl 3-sulfinooxybutanoate
CID 90802257
ethyl (3R)-3-methanethioyloxybutanoate
CID 118053887
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl (3R)-3-[(2S,4R)-4-hydroxypentan-2-yl]oxypentanoate
CID 102437107
(3S)-1-ethoxy-3-[hydroxy(oxido)azaniumyl]oxy-1-oxobutane
CID 163161730
[(2R)-4-ethoxy-4-oxobutan-2-yl] hexanoate;[(2R)-4-ethoxy-4-oxobutan-2-yl] octanoate;[(2R)-4-hexoxy-4-oxobutan-2-yl] octanoate;[(2R)-4-octoxy-4-oxobutan-2-yl] decanoate
CID 157435785
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757

Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbamoyloxybutanoate?
The IUPAC name of ethyl 3-carbamoyloxybutanoate (CID 88785770) is ethyl 3-carbamoyloxybutanoate.
What is the SMILES notation for ethyl 3-carbamoyloxybutanoate?
The canonical SMILES for ethyl 3-carbamoyloxybutanoate is CCOC(=O)CC(C)OC(N)=O.
What is the InChIKey of ethyl 3-carbamoyloxybutanoate?
The InChIKey is ZKORDAIYAZDRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-11-6(9)4-5(2)12-7(8)10/h5H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of ethyl 3-carbamoyloxybutanoate?
ethyl 3-carbamoyloxybutanoate has a molecular weight of 175.18 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbamoyloxybutanoate is sourced from PubChem (CID 88785770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).