methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate

C10H16BrNO2 — CID 95629535

IUPACmethyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate
SMILESC=C(Br)CN(C1CC1)[C@H](C)C(=O)OC
InChIInChI=1S/C10H16BrNO2/c1-7(11)6-12(9-4-5-9)8(2)10(13)14-3/h8-9H,1,4-6H2,2-3H3/t8-/m1/s1
InChIKeyNVEHREAWHRYEHT-MRVPVSSYSA-N
MW262.15 g/mol
LogP1.92
Rot. Bonds5

About methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate

methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate (PubChem CID 95629535) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate
PubChem CID95629535
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Namemethyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate
SMILESC=C(Br)CN(C1CC1)[C@H](C)C(=O)OC
InChIInChI=1S/C10H16BrNO2/c1-7(11)6-12(9-4-5-9)8(2)10(13)14-3/h8-9H,1,4-6H2,2-3H3/t8-/m1/s1
InChIKeyNVEHREAWHRYEHT-MRVPVSSYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate?
The IUPAC name of methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate (CID 95629535) is methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate?
The canonical SMILES for methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate is C=C(Br)CN(C1CC1)[C@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate?
The InChIKey is NVEHREAWHRYEHT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-7(11)6-12(9-4-5-9)8(2)10(13)14-3/h8-9H,1,4-6H2,2-3H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate?
methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate has a molecular weight of 262.15 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[2-bromoprop-2-enyl(cyclopropyl)amino]propanoate is sourced from PubChem (CID 95629535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).