2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid

C12H13BrN2O3 — CID 54978714

IUPAC2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H13BrN2O3/c13-8-2-1-3-9(6-8)14-12(18)15(7-11(16)17)10-4-5-10/h1-3,6,10H,4-5,7H2,(H,14,18)(H,16,17)
InChIKeyJZEJSCUVACBNEA-UHFFFAOYSA-N
MW313.15 g/mol
LogP2.53
Rot. Bonds4

About 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid

2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid (PubChem CID 54978714) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
PubChem CID54978714
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1cccc(Br)c1)C1CC1
InChIInChI=1S/C12H13BrN2O3/c13-8-2-1-3-9(6-8)14-12(18)15(7-11(16)17)10-4-5-10/h1-3,6,10H,4-5,7H2,(H,14,18)(H,16,17)
InChIKeyJZEJSCUVACBNEA-UHFFFAOYSA-N
XLogP2.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid
CID 61191509
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[cyclopropyl(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]acetic acid
CID 61185132
2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid
CID 63334919
2-[(4-bromo-2-cyanophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 82704502
2-[acetyl(cyclohexyl)amino]-N-(3-bromophenyl)acetamide
CID 113159568
2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid
CID 61341696
1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 20908059
2-[cyclopropyl-[(4-propan-2-ylphenyl)carbamoyl]amino]acetic acid
CID 61185121
2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid (CID 54978714) is 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)Nc1cccc(Br)c1)C1CC1.
What is the InChIKey of 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid?
The InChIKey is JZEJSCUVACBNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-8-2-1-3-9(6-8)14-12(18)15(7-11(16)17)10-4-5-10/h1-3,6,10H,4-5,7H2,(H,14,18)(H,16,17).
What are the key properties of 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid?
2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid has a molecular weight of 313.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 54978714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).