2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C16H19NO4 — CID 141149679

IUPAC2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1=Cc2ccccc2C1
InChIInChI=1S/C16H19NO4/c1-16(2,3)21-15(20)17-13(14(18)19)12-8-10-6-4-5-7-11(10)9-12/h4-8,13H,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWQAODRCADGHBOX-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.60
Rot. Bonds3

About 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 141149679) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID141149679
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1=Cc2ccccc2C1
InChIInChI=1S/C16H19NO4/c1-16(2,3)21-15(20)17-13(14(18)19)12-8-10-6-4-5-7-11(10)9-12/h4-8,13H,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWQAODRCADGHBOX-UHFFFAOYSA-N
XLogP2.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
2-(2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 12508747
2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
CID 90120378
2-(3-chlorocyclohexa-1,3-dien-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 70900086
2-(2-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 79973080
tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260
2-(5-methylfuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 116860991
2-cyclohexa-1,3-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 123675890
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 24903485
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
CID 15864552
(2S)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 159251854
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)acetate
CID 46184727

Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 141149679) is 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC(C)(C)OC(=O)NC(C(=O)O)C1=Cc2ccccc2C1.
What is the InChIKey of 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is WQAODRCADGHBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-16(2,3)21-15(20)17-13(14(18)19)12-8-10-6-4-5-7-11(10)9-12/h4-8,13H,9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 141149679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).