2-(2-amino-4-bromoanilino)acetic acid

C8H9BrN2O2 — CID 62253312

IUPAC2-(2-amino-4-bromoanilino)acetic acid
SMILESNc1cc(Br)ccc1NCC(=O)O
InChIInChI=1S/C8H9BrN2O2/c9-5-1-2-7(6(10)3-5)11-4-8(12)13/h1-3,11H,4,10H2,(H,12,13)
InChIKeySHKSPDYQUCNPRV-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.53
Rot. Bonds3

About 2-(2-amino-4-bromoanilino)acetic acid

2-(2-amino-4-bromoanilino)acetic acid (PubChem CID 62253312) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-(2-amino-4-bromoanilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-bromoanilino)acetic acid
PubChem CID62253312
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-(2-amino-4-bromoanilino)acetic acid
SMILESNc1cc(Br)ccc1NCC(=O)O
InChIInChI=1S/C8H9BrN2O2/c9-5-1-2-7(6(10)3-5)11-4-8(12)13/h1-3,11H,4,10H2,(H,12,13)
InChIKeySHKSPDYQUCNPRV-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633
4-bromo-1-N-ethylbenzene-1,2-diamine
CID 11816737
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
(2-amino-4-bromoanilino)-ethylcarbamic acid
CID 174751158
2-(2-amino-4-bromoanilino)-1-phenylethanol
CID 43498872
4-bromo-1-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182111
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
1-(2-amino-4-bromoanilino)-3-chloropropan-2-ol
CID 170856792
2-(4-bromoanilino)acetic acid
CID 6917281
2-[2-amino-4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]acetic acid
CID 21238945
N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
CID 63832500

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromoanilino)acetic acid?
The IUPAC name of 2-(2-amino-4-bromoanilino)acetic acid (CID 62253312) is 2-(2-amino-4-bromoanilino)acetic acid.
What is the SMILES notation for 2-(2-amino-4-bromoanilino)acetic acid?
The canonical SMILES for 2-(2-amino-4-bromoanilino)acetic acid is Nc1cc(Br)ccc1NCC(=O)O.
What is the InChIKey of 2-(2-amino-4-bromoanilino)acetic acid?
The InChIKey is SHKSPDYQUCNPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-5-1-2-7(6(10)3-5)11-4-8(12)13/h1-3,11H,4,10H2,(H,12,13).
What are the key properties of 2-(2-amino-4-bromoanilino)acetic acid?
2-(2-amino-4-bromoanilino)acetic acid has a molecular weight of 245.08 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromoanilino)acetic acid is sourced from PubChem (CID 62253312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).