methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate

C14H16BrNO3 — CID 95271586

IUPACmethyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO3/c1-19-13(17)6-7-16-14(18)12-8-11(12)9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyLNXVZTJGRPVMGO-RYUDHWBXSA-N
MW326.19 g/mol
LogP2.23
Rot. Bonds5

About methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate

methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate (PubChem CID 95271586) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate
PubChem CID95271586
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Namemethyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C14H16BrNO3/c1-19-13(17)6-7-16-14(18)12-8-11(12)9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyLNXVZTJGRPVMGO-RYUDHWBXSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
methyl 3-[[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95245166
2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 47089784
trans-(1R,2R)-2-(4-bromophenyl)-N-(2-ethoxyethyl)cyclopropane-1-carboxamide
CID 94798725
methyl 5-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]pentanoate
CID 49197372
methyl (3S)-3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]butanoate
CID 124819236
methyl (3S)-3-[[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]butanoate
CID 124819235
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
CID 94811517
2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
CID 134009740
ethyl 2-[[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]sulfamoyl-methylamino]acetate
CID 166332451
cis-(1R,2S)-2-(4-bromophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 94801668

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate (CID 95271586) is methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate is COC(=O)CCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate?
The InChIKey is LNXVZTJGRPVMGO-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-19-13(17)6-7-16-14(18)12-8-11(12)9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3,(H,16,18)/t11-,12-/m0/s1.
What are the key properties of methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate?
methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate has a molecular weight of 326.19 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate is sourced from PubChem (CID 95271586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).