2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid

C15H21BrN2O3 — CID 63066149

IUPAC2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3/c1-10(2)8-18(9-14(19)20)15(21)17-11(3)12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyDSRFHWXVLVHJJL-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.26
Rot. Bonds6

About 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid

2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63066149) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID63066149
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O3/c1-10(2)8-18(9-14(19)20)15(21)17-11(3)12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyDSRFHWXVLVHJJL-UHFFFAOYSA-N
XLogP3.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methylpropyl(1-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63064912
2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066150
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
4-[1-(4-bromophenyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 81069199
1-[(1S)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 106831663
1-[(1R)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 58762667
3-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]propanoic acid
CID 94221926
2-[1-(4-bromophenyl)ethyl-butan-2-ylamino]acetic acid
CID 65057440
5-[[(1R)-1-(4-bromophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81353966
4-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-methylidene-4-oxobutanoic acid
CID 166098925
N-[1-(4-bromophenyl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683956
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid (CID 63066149) is 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is DSRFHWXVLVHJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-10(2)8-18(9-14(19)20)15(21)17-11(3)12-4-6-13(16)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid?
2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 357.25 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).