2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid

C18H23NO5 — CID 120976998

IUPAC2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H](NC(=O)C1CCC1C(=O)O)c1ccccc1
InChIInChI=1S/C18H23NO5/c1-18(2,3)24-17(23)14(11-7-5-4-6-8-11)19-15(20)12-9-10-13(12)16(21)22/h4-8,12-14H,9-10H2,1-3H3,(H,19,20)(H,21,22)/t12?,13?,14-/m0/s1
InChIKeyQOGUPPOZEOMIHM-RUXDESIVSA-N
MW333.38 g/mol
LogP2.30
Rot. Bonds5

About 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976998) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976998
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H](NC(=O)C1CCC1C(=O)O)c1ccccc1
InChIInChI=1S/C18H23NO5/c1-18(2,3)24-17(23)14(11-7-5-4-6-8-11)19-15(20)12-9-10-13(12)16(21)22/h4-8,12-14H,9-10H2,1-3H3,(H,19,20)(H,21,22)/t12?,13?,14-/m0/s1
InChIKeyQOGUPPOZEOMIHM-RUXDESIVSA-N
XLogP2.30
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539467
tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539461
tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopropylacetyl)amino]-2-phenylacetyl]amino]-2-phenylacetate
CID 140999655
tert-butyl (2R)-2-(3-methylbut-2-enoylamino)-2-phenylacetate
CID 80997776
tert-butyl (2S)-2-(ethylcarbamoylamino)-2-phenylacetate
CID 115539468
tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopentylacetyl)amino]propanoyl]amino]-2-phenylacetate
CID 142643331
tert-butyl (2R)-2-(but-3-enoylamino)-2-phenylacetate
CID 115539441
2-[[(4-ethoxyphenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975218
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-methylcyclopentane-1-carboxamide
CID 107178672
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
tert-butyl 2-amino-2-[4-[[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]amino]methyl]cyclohexyl]acetate
CID 174531024

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120976998) is 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)[C@@H](NC(=O)C1CCC1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is QOGUPPOZEOMIHM-RUXDESIVSA-N. The full InChI is InChI=1S/C18H23NO5/c1-18(2,3)24-17(23)14(11-7-5-4-6-8-11)19-15(20)12-9-10-13(12)16(21)22/h4-8,12-14H,9-10H2,1-3H3,(H,19,20)(H,21,22)/t12?,13?,14-/m0/s1.
What are the key properties of 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).