methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate

C14H16BrNO3 — CID 124839584

IUPACmethyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate
SMILESCOC(=O)[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO3/c1-8-7-11(8)13(17)16-12(14(18)19-2)9-3-5-10(15)6-4-9/h3-6,8,11-12H,7H2,1-2H3,(H,16,17)/t8-,11+,12-/m1/s1
InChIKeyDUMFRILHNWTRPH-JFUSQASVSA-N
MW326.19 g/mol
LogP2.44
Rot. Bonds4

About methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate

methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate (PubChem CID 124839584) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate
PubChem CID124839584
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Namemethyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate
SMILESCOC(=O)[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO3/c1-8-7-11(8)13(17)16-12(14(18)19-2)9-3-5-10(15)6-4-9/h3-6,8,11-12H,7H2,1-2H3,(H,16,17)/t8-,11+,12-/m1/s1
InChIKeyDUMFRILHNWTRPH-JFUSQASVSA-N
XLogP2.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
methyl 2-(4-bromophenyl)-2-[(2-chloro-2-fluoroacetyl)amino]acetate
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methyl (2S)-2-(4-bromophenyl)-2-(furan-2-carbonylamino)acetate
CID 94814289
methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate
CID 130277314
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
methyl (2R)-2-(4-bromophenyl)-2-[[(2R)-2-ethoxypropanoyl]amino]acetate
CID 94819141
2-[[(3R,5S)-3,5-bis[(2-methoxy-2-oxo-1-phenylethyl)carbamoyl]cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 122202039
methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822541
methyl (2S)-2-(4-bromophenyl)-2-[[(3S)-1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]acetate
CID 52909656
cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 27450935
methyl 2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 107068110

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate?
The IUPAC name of methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate (CID 124839584) is methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate.
What is the SMILES notation for methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate?
The canonical SMILES for methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate is COC(=O)[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(Br)cc1.
What is the InChIKey of methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate?
The InChIKey is DUMFRILHNWTRPH-JFUSQASVSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-8-7-11(8)13(17)16-12(14(18)19-2)9-3-5-10(15)6-4-9/h3-6,8,11-12H,7H2,1-2H3,(H,16,17)/t8-,11+,12-/m1/s1.
What are the key properties of methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate?
methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate has a molecular weight of 326.19 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-bromophenyl)-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]acetate is sourced from PubChem (CID 124839584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).