2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid

C15H20BrNO2 — CID 114081564

IUPAC2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(Cc1ccc(Br)cc1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H20BrNO2/c1-11(8-12-4-6-14(16)7-5-12)17(10-15(18)19)9-13-2-3-13/h4-7,11,13H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyAIMQNYWVDYSACP-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.18
Rot. Bonds7

About 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid

2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 114081564) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid
PubChem CID114081564
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(Cc1ccc(Br)cc1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H20BrNO2/c1-11(8-12-4-6-14(16)7-5-12)17(10-15(18)19)9-13-2-3-13/h4-7,11,13H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyAIMQNYWVDYSACP-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-bromophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054651
2-[1-(5-bromothiophen-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054657
2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041638
2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055047
5-[1-[bis(cyclopropylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090935
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 76894221
2-[cyclopropylmethyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65055145
2-[cyclopropylmethyl-[1-(3-methylthiophen-2-yl)ethyl]amino]acetic acid
CID 65054956
1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
CID 54999992
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
2-[1-(4-hydroxyphenyl)propan-2-yl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115496221

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid (CID 114081564) is 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid is CC(Cc1ccc(Br)cc1)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is AIMQNYWVDYSACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11(8-12-4-6-14(16)7-5-12)17(10-15(18)19)9-13-2-3-13/h4-7,11,13H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid?
2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 326.23 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 114081564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).