2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid

C15H21NO4 — CID 170188203

IUPAC2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)OCC(=O)O
InChIInChI=1S/C15H21NO4/c1-9(2)11-6-5-7-12(10(3)4)14(11)16-15(19)20-8-13(17)18/h5-7,9-10H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySHDONVXRXGGVNR-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.57
Rot. Bonds5

About 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid

2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid (PubChem CID 170188203) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid
PubChem CID170188203
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)OCC(=O)O
InChIInChI=1S/C15H21NO4/c1-9(2)11-6-5-7-12(10(3)4)14(11)16-15(19)20-8-13(17)18/h5-7,9-10H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySHDONVXRXGGVNR-UHFFFAOYSA-N
XLogP3.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] propanoate
CID 7851212
(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
CID 22690911
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2689588
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 2563965
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573841
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid (CID 170188203) is 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid is CC(C)c1cccc(C(C)C)c1NC(=O)OCC(=O)O.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid?
The InChIKey is SHDONVXRXGGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9(2)11-6-5-7-12(10(3)4)14(11)16-15(19)20-8-13(17)18/h5-7,9-10H,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid?
2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]carbamoyloxy]acetic acid is sourced from PubChem (CID 170188203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).