2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid

C14H17NO4 — CID 23221364

IUPAC2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid
SMILESC=C(C)C(=O)OC(C)CN(C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-10(2)13(16)19-11(3)9-15(14(17)18)12-7-5-4-6-8-12/h4-8,11H,1,9H2,2-3H3,(H,17,18)
InChIKeyUTCKWAWREOWOHL-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.68
Rot. Bonds5

About 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid

2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid (PubChem CID 23221364) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid
PubChem CID23221364
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid
SMILESC=C(C)C(=O)OC(C)CN(C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-10(2)13(16)19-11(3)9-15(14(17)18)12-7-5-4-6-8-12/h4-8,11H,1,9H2,2-3H3,(H,17,18)
InChIKeyUTCKWAWREOWOHL-UHFFFAOYSA-N
XLogP2.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
(4-hydroxy-4-phenylpentan-2-yl) 2-methylprop-2-enoate
CID 145165282
[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid
CID 54211065
1-(N-tert-butylanilino)ethyl 2-methylprop-2-enoate
CID 69412548
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
1-(4-phenyldiazenylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 174346724
4-aminopentan-2-yl 2-methylprop-2-enoate;diphenylmethanone
CID 175127791
1-[2-(benzenesulfonyl)acetyl]oxypropan-2-yl 2-methylprop-2-enoate
CID 156637950
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
N-(butan-2-yloxymethyl)-N-phenylacetamide
CID 11117602
(1-amino-1-phenylpropan-2-yl) 2-methylprop-2-enoate;hydrochloride
CID 173341701

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid (CID 23221364) is 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid is C=C(C)C(=O)OC(C)CN(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid?
The InChIKey is UTCKWAWREOWOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(2)13(16)19-11(3)9-15(14(17)18)12-7-5-4-6-8-12/h4-8,11H,1,9H2,2-3H3,(H,17,18).
What are the key properties of 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid?
2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid has a molecular weight of 263.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid is sourced from PubChem (CID 23221364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).