5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid

C10H11BrN2O4S — CID 43176070

IUPAC5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H11BrN2O4S/c11-7-3-2-6(18-7)9(15)13-5(10(16)17)1-4-8(12)14/h2-3,5H,1,4H2,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyONWVRLJIXKSYEH-UHFFFAOYSA-N
MW335.18 g/mol
LogP0.96
Rot. Bonds6

About 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 43176070) has the molecular formula C10H11BrN2O4S and a molecular weight of 335.18 g/mol. Its IUPAC name is 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID43176070
Molecular FormulaC10H11BrN2O4S
Molecular Weight335.18 g/mol
Exact Mass333.96
IUPAC Name5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1ccc(Br)s1)C(=O)O
InChIInChI=1S/C10H11BrN2O4S/c11-7-3-2-6(18-7)9(15)13-5(10(16)17)1-4-8(12)14/h2-3,5H,1,4H2,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyONWVRLJIXKSYEH-UHFFFAOYSA-N
XLogP0.96
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822531
(2S)-5-amino-2-[(5-chlorothiophene-2-carbonyl)amino]-5-oxopentanoic acid
CID 61144475
2-[(5-bromothiophene-2-carbonyl)amino]butanedioic acid
CID 78910337
2-[(5-bromothiophene-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478929
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983214
diethyl 2-[(5-bromothiophene-2-carbonyl)amino]pentanedioate
CID 75164214
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
CID 43084994
5-amino-2-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
CID 24693335
(2R)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107829776
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid (CID 43176070) is 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)c1ccc(Br)s1)C(=O)O.
What is the InChIKey of 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is ONWVRLJIXKSYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4S/c11-7-3-2-6(18-7)9(15)13-5(10(16)17)1-4-8(12)14/h2-3,5H,1,4H2,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 335.18 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-bromothiophene-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 43176070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).