2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid

C10H14BrNO2S — CID 115380650

IUPAC2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid
SMILESCC(C)CNC(C(=O)O)c1sccc1Br
InChIInChI=1S/C10H14BrNO2S/c1-6(2)5-12-8(10(13)14)9-7(11)3-4-15-9/h3-4,6,8,12H,5H2,1-2H3,(H,13,14)
InChIKeyURMWGUVFSIMNKE-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.88
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid

2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid (PubChem CID 115380650) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid
PubChem CID115380650
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid
SMILESCC(C)CNC(C(=O)O)c1sccc1Br
InChIInChI=1S/C10H14BrNO2S/c1-6(2)5-12-8(10(13)14)9-7(11)3-4-15-9/h3-4,6,8,12H,5H2,1-2H3,(H,13,14)
InChIKeyURMWGUVFSIMNKE-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 115380653
(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid
CID 115380715
3-(3-bromothiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 81019117
ethyl 2-(3-bromothiophen-2-yl)-2-(butan-2-ylamino)acetate
CID 115380668
2-(3-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115380573
methyl 2-anilino-2-(3-bromothiophen-2-yl)acetate
CID 113298141
4-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutan-1-ol
CID 66092233
2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid
CID 115380681
N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895631
N-[1-(3-bromothiophen-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 60815874
tert-butyl N-[1-[1-(3-bromothiophen-2-yl)ethylamino]propan-2-yl]carbamate
CID 107247394
methyl 2-(2-azidoethylamino)-2-(3-bromothiophen-2-yl)acetate
CID 115380698

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid (CID 115380650) is 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid is CC(C)CNC(C(=O)O)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid?
The InChIKey is URMWGUVFSIMNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-6(2)5-12-8(10(13)14)9-7(11)3-4-15-9/h3-4,6,8,12H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid?
2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid has a molecular weight of 292.20 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid is sourced from PubChem (CID 115380650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).