2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride

C12H15BrClNO2 — CID 119033400

IUPAC2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H14BrNO2.ClH/c13-10-4-2-9(3-5-10)12(6-1-7-12)14-8-11(15)16;/h2-5,14H,1,6-8H2,(H,15,16);1H
InChIKeyHWCASHDNKUYLIJ-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.92
Rot. Bonds4

About 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride

2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride (PubChem CID 119033400) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride
PubChem CID119033400
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C12H14BrNO2.ClH/c13-10-4-2-9(3-5-10)12(6-1-7-12)14-8-11(15)16;/h2-5,14H,1,6-8H2,(H,15,16);1H
InChIKeyHWCASHDNKUYLIJ-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
CID 175015594
3-[[1-(4-bromophenyl)cyclobutyl]amino]propan-1-ol
CID 111147506
1-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-amine
CID 126732576
1-(4-bromophenyl)-N-ethylcyclopropan-1-amine
CID 126991156
2-(4-bromoanilino)acetic acid
CID 6917281
7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide
CID 119740974
propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate
CID 118391631
4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride
CID 120589748
5-[[1-(3-bromophenyl)cyclohexyl]amino]pentanoic acid
CID 122121818
N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride
CID 119298991
ethyl 2-[(1-phenylcyclohexyl)amino]acetate
CID 97355903
[3-(4-bromophenyl)oxolan-3-yl]carbamic acid
CID 130407616

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride (CID 119033400) is 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride is Cl.O=C(O)CNC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride?
The InChIKey is HWCASHDNKUYLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2.ClH/c13-10-4-2-9(3-5-10)12(6-1-7-12)14-8-11(15)16;/h2-5,14H,1,6-8H2,(H,15,16);1H.
What are the key properties of 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride?
2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride has a molecular weight of 320.61 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 119033400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).