3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid

C14H16BrNO4 — CID 66173367

IUPAC3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)O
InChIInChI=1S/C14H16BrNO4/c1-13(20,12(18)19)8-16-11(17)14(6-7-14)9-2-4-10(15)5-3-9/h2-5,20H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyUIMCZLYMVKVNDH-UHFFFAOYSA-N
MW342.19 g/mol
LogP1.43
Rot. Bonds5

About 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66173367) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66173367
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)O
InChIInChI=1S/C14H16BrNO4/c1-13(20,12(18)19)8-16-11(17)14(6-7-14)9-2-4-10(15)5-3-9/h2-5,20H,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyUIMCZLYMVKVNDH-UHFFFAOYSA-N
XLogP1.43
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
1-(4-bromophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66179470
1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467746
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-ethylbutanoic acid
CID 79813326
1-(4-bromophenyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclopropane-1-carboxamide
CID 103767285
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333
2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 65218799
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
1-(4-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]cyclopropane-1-carboxamide
CID 64865921
2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 66173367) is 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)C1(c2ccc(Br)cc2)CC1)C(=O)O.
What is the InChIKey of 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is UIMCZLYMVKVNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-13(20,12(18)19)8-16-11(17)14(6-7-14)9-2-4-10(15)5-3-9/h2-5,20H,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 342.19 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66173367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).