2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid

C15H21NO5 — CID 164513589

IUPAC2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)NCCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-7-8-20-12-6-4-5-11(9-12)10-13(17)18/h4-6,9H,7-8,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyVXGSHIWKYJRAIJ-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.22
Rot. Bonds6

About 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid

2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid (PubChem CID 164513589) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
PubChem CID164513589
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid
SMILESCC(C)(C)OC(=O)NCCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-7-8-20-12-6-4-5-11(9-12)10-13(17)18/h4-6,9H,7-8,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyVXGSHIWKYJRAIJ-UHFFFAOYSA-N
XLogP2.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
S-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methyl] 2-methylpropanethioate
CID 122440582
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
tert-butyl N-[2-[3-(3-phenylprop-1-ynyl)phenoxy]ethyl]carbamate
CID 66628798
tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
CID 167192366
tert-butyl N-[3-(3-benzylsulfanylphenoxy)propyl]carbamate
CID 175833419
tert-butyl N-[2-(3-nitrophenoxy)ethyl]carbamate
CID 21077618
2-[3-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]acetic acid
CID 155669783
tert-butyl N-[3-[3-[2-[(N-methyl-C-prop-1-en-2-ylsulfanylcarbonimidoyl)amino]-2-oxoethyl]phenoxy]propyl]carbamate
CID 170705426
tert-butyl N-[3-(3-benzyl-4-fluorophenoxy)propyl]carbamate
CID 175169261
tert-butyl N-[2-[3-(pentan-2-ylamino)phenoxy]ethyl]carbamate
CID 107244753

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid (CID 164513589) is 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid is CC(C)(C)OC(=O)NCCOc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid?
The InChIKey is VXGSHIWKYJRAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-7-8-20-12-6-4-5-11(9-12)10-13(17)18/h4-6,9H,7-8,10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid?
2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid has a molecular weight of 295.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 164513589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).