2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid

C14H17BrN2O3 — CID 61190150

IUPAC2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccccc1Br)C1CCCC1
InChIInChI=1S/C14H17BrN2O3/c15-11-7-3-4-8-12(11)16-14(20)17(9-13(18)19)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,20)(H,18,19)
InChIKeyDQULVJNUERFPSY-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.31
Rot. Bonds4

About 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid

2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid (PubChem CID 61190150) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
PubChem CID61190150
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccccc1Br)C1CCCC1
InChIInChI=1S/C14H17BrN2O3/c15-11-7-3-4-8-12(11)16-14(20)17(9-13(18)19)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,20)(H,18,19)
InChIKeyDQULVJNUERFPSY-UHFFFAOYSA-N
XLogP3.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[(2-bromophenyl)methylcarbamoyl-cyclopentylamino]acetic acid
CID 61414112
2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
CID 54978431
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725
2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978668
2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid
CID 63334919
2-[[2-(2-bromoanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656616
3-(2-bromophenyl)-1-cyclohexyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 42663076
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
CID 119194508
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid (CID 61190150) is 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid is O=C(O)CN(C(=O)Nc1ccccc1Br)C1CCCC1.
What is the InChIKey of 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid?
The InChIKey is DQULVJNUERFPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-7-3-4-8-12(11)16-14(20)17(9-13(18)19)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid?
2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid has a molecular weight of 341.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 61190150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).