2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate

C10H18N2O5 — CID 144910587

IUPAC2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NC(C)(CO)CO
InChIInChI=1S/C10H18N2O5/c1-3-8(15)17-5-4-11-9(16)12-10(2,6-13)7-14/h3,13-14H,1,4-7H2,2H3,(H2,11,12,16)
InChIKeyXFKOZLXEQUROHV-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.24
Rot. Bonds7

About 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate

2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate (PubChem CID 144910587) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate
PubChem CID144910587
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)NC(C)(CO)CO
InChIInChI=1S/C10H18N2O5/c1-3-8(15)17-5-4-11-9(16)12-10(2,6-13)7-14/h3,13-14H,1,4-7H2,2H3,(H2,11,12,16)
InChIKeyXFKOZLXEQUROHV-UHFFFAOYSA-N
XLogP-1.24
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate 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

[2-methyl-2-[2-[2-[2-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]ethoxy]ethoxy]ethylcarbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 59460229
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
[2-[3-(2,2-dimethylbutanoylamino)propylcarbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 88566153
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
2-[[2-(hydroxymethyl)-2-(2-prop-2-enoyloxyethylcarbamoyloxymethyl)butoxy]carbonylamino]ethyl prop-2-enoate
CID 162475101
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-tert-butyl-4-methylpent-3-enoate
CID 88968022
2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate
CID 170223606

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate (CID 144910587) is 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)NC(C)(CO)CO.
What is the InChIKey of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate?
The InChIKey is XFKOZLXEQUROHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-3-8(15)17-5-4-11-9(16)12-10(2,6-13)7-14/h3,13-14H,1,4-7H2,2H3,(H2,11,12,16).
What are the key properties of 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate?
2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate has a molecular weight of 246.26 g/mol, XLogP of -1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dihydroxy-2-methylpropan-2-yl)carbamoylamino]ethyl prop-2-enoate is sourced from PubChem (CID 144910587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).